CID 15698228

Tert-butyl n-cyclopropylcarbamate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)(C)OC(=O)NC1CC1

InChI

InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)9-6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)

InChIKey

WFFGQLYKMWGXMU-UHFFFAOYSA-N

Compound name

tert-butyl N-cyclopropylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 320
Patents: 157.11028 Da
Monoisotopic Mass: 1.5
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]+	158.117556	134.7
[M+Na]+	180.099498	142.9
[M-H]-	156.103004	139.5
[M+NH4]+	175.144103	150.9
[M+K]+	196.073438	141.7
[M+H-H2O]+	140.107540	129.3
[M+HCOO]-	202.108481	157.4
[M+CH3COO]-	216.124131	181.9
[M+Na-2H]-	178.084946	141.0
[M]+	157.10973142	138.1
[M]-	157.11082858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe