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 177.6
[M+Na]+ 374.09374 185.4
[M-H]- 350.09724 181.3
[M+NH4]+ 369.13834 195.2
[M+K]+ 390.06768 176.8
[M+H-H2O]+ 334.10178 176.8
[M+HCOO]- 396.10272 194.2
[M+CH3COO]- 410.11837 212.4
[M+Na-2H]- 372.07919 180.6
[M]+ 351.10397 201.7
[M]- 351.10507 201.7
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