CID 45091868

272791-90-9

Structural Information

Molecular Formula

C₈H₁₆ClNO₂

SMILES

CC(CNC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C8H16ClNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)

InChIKey

BBAFVRDQRAEQAF-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-chloropropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.08696 Da
Monoisotopic Mass: 2.0
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	143.0
[M+Na]+	216.07618	149.9
[M-H]-	192.07968	143.5
[M+NH4]+	211.12078	163.6
[M+K]+	232.05012	148.5
[M+H-H2O]+	176.08422	139.5
[M+HCOO]-	238.08516	160.0
[M+CH3COO]-	252.10081	184.9
[M+Na-2H]-	214.06163	147.1
[M]+	193.08641	146.3
[M]-	193.08751	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe