CID 10108474

142356-34-1

Structural Information

Molecular Formula

C₁₂H₂₄BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCCCCCBr

InChI

InChI=1S/C12H24BrNO2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h4-10H2,1-3H3,(H,14,15)

InChIKey

VKBIPAHIGAUNSX-UHFFFAOYSA-N

Compound name

tert-butyl N-(7-bromoheptyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 293.09903 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.10631	166.8
[M+Na]+	316.08825	174.7
[M-H]-	292.09175	168.9
[M+NH4]+	311.13285	185.9
[M+K]+	332.06219	163.8
[M+H-H2O]+	276.09629	165.9
[M+HCOO]-	338.09723	185.2
[M+CH3COO]-	352.11288	201.5
[M+Na-2H]-	314.07370	171.1
[M]+	293.09848	188.2
[M]-	293.09958	188.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe