CID 10932310

116861-31-5

Structural Information

Molecular Formula

C₈H₁₆ClNO₂

SMILES

CC(C)(C)OC(=O)NCCCCl

InChI

InChI=1S/C8H16ClNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

GLGLWGNZBMZWHG-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-chloropropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 264
Patents: 193.08696 Da
Monoisotopic Mass: 1.9
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]+	194.09424	142.5
[M+Na]+	216.07618	151.6
[M+NH4]+	211.12078	149.5
[M+K]+	232.05012	146.8
[M-H]-	192.07968	141.1
[M+Na-2H]-	214.06163	145.4
[M]+	193.08641	143.4
[M]-	193.08751	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe