CID 10357893

142356-35-2

Structural Information

Molecular Formula

C₁₃H₂₆BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCCCCCCBr

InChI

InChI=1S/C13H26BrNO2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11H2,1-3H3,(H,15,16)

InChIKey

XBDSVMQPKSQVMH-UHFFFAOYSA-N

Compound name

tert-butyl N-(8-bromooctyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 307.1147 Da
Monoisotopic Mass: 4.2
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]+	308.12198	171.4
[M+Na]+	330.10392	178.9
[M-H]-	306.10742	173.3
[M+NH4]+	325.14852	189.9
[M+K]+	346.07786	167.7
[M+H-H2O]+	290.11196	170.2
[M+HCOO]-	352.11290	189.4
[M+CH3COO]-	366.12855	204.3
[M+Na-2H]-	328.08937	175.1
[M]+	307.11415	193.1
[M]-	307.11525	193.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe