CID 155821035

Tert-butyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]azocane-1-carboxylate

Structural Information

Molecular Formula
C19H34BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C\2/CCCCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H34BNO4/c1-17(2,3)23-16(22)21-12-9-8-10-15(11-13-21)14-20-24-18(4,5)19(6,7)25-20/h14H,8-13H2,1-7H3/b15-14-
InChIKey
ZVKCPOVSCLSOAD-PFONDFGASA-N
Compound name
tert-butyl (4Z)-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]azocane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26538 186.3
[M+Na]+ 374.24732 189.9
[M-H]- 350.25082 188.8
[M+NH4]+ 369.29192 193.0
[M+K]+ 390.22126 190.8
[M+H-H2O]+ 334.25536 182.7
[M+HCOO]- 396.25630 190.8
[M+CH3COO]- 410.27195 234.5
[M+Na-2H]- 372.23277 182.7
[M]+ 351.25755 185.8
[M]- 351.25865 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.