CID 165471393

En300-802902

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2(CCC2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-15(2,3)22-14(21)20-13-18(9-8-10-18)11-12-19-23-16(4,5)17(6,7)24-19/h11-12H,8-10,13H2,1-7H3,(H,20,21)/b12-11+
InChIKey
UISCOZUMPKNWTN-VAWYXSNFSA-N
Compound name
tert-butyl N-[[1-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 177.6
[M+Na]+ 360.23165 180.8
[M-H]- 336.23515 184.8
[M+NH4]+ 355.27625 189.9
[M+K]+ 376.20559 184.5
[M+H-H2O]+ 320.23969 171.0
[M+HCOO]- 382.24063 192.6
[M+CH3COO]- 396.25628 213.7
[M+Na-2H]- 358.21710 181.6
[M]+ 337.24188 189.8
[M]- 337.24298 189.8
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.