CID 165947146

1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]azepane

Structural Information

Molecular Formula
C15H30BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCN2CCCCCC2
InChI
InChI=1S/C15H30BNO2/c1-14(2)15(3,4)19-16(18-14)10-9-13-17-11-7-5-6-8-12-17/h5-13H2,1-4H3
InChIKey
ZLHWOGKVIXMRPR-UHFFFAOYSA-N
Compound name
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.23697 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.24425 159.1
[M+Na]+ 290.22619 161.8
[M-H]- 266.22969 165.2
[M+NH4]+ 285.27079 175.8
[M+K]+ 306.20013 164.2
[M+H-H2O]+ 250.23423 152.3
[M+HCOO]- 312.23517 173.0
[M+CH3COO]- 326.25082 198.4
[M+Na-2H]- 288.21164 161.2
[M]+ 267.23642 155.0
[M]- 267.23752 155.0
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.