CID 77922

Tert-butyl carbamate

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(C)(C)OC(=O)N

InChI

InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)

InChIKey

LFKDJXLFVYVEFG-UHFFFAOYSA-N

Compound name

tert-butyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 43
References: 59270
Patents: 117.07898 Da
Monoisotopic Mass: 0.5
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]+	118.086256	123.7
[M+Na]+	140.068198	131.1
[M-H]-	116.071704	124.0
[M+NH4]+	135.112803	146.0
[M+K]+	156.042138	132.0
[M+H-H2O]+	100.076240	119.7
[M+HCOO]-	162.077181	146.4
[M+CH3COO]-	176.092831	171.0
[M+Na-2H]-	138.053646	129.8
[M]+	117.07843142	123.6
[M]-	117.07952858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe