CID 85615186

135924-07-1

Structural Information

Molecular Formula
C14H26BrNO4
SMILES
CC(C)(C)OC(=O)N(CCCCBr)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H26BrNO4/c1-13(2,3)19-11(17)16(10-8-7-9-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKey
CNZZVGZZNDHYBP-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromobutyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

351.10452 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11180 173.0
[M+Na]+ 374.09374 170.4
[M+NH4]+ 369.13834 174.0
[M+K]+ 390.06768 173.9
[M-H]- 350.09724 168.7
[M+Na-2H]- 372.07919 170.6
[M]+ 351.10397 169.9
[M]- 351.10507 169.9
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

patents stripe