CID 11722

Methyl carbamate

Structural Information

Molecular Formula

SMILES

COC(=O)N

InChI

InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)

InChIKey

GTCAXTIRRLKXRU-UHFFFAOYSA-N

Compound name

methyl carbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 136
References: 60992
Patents: 75.03203 Da
Monoisotopic Mass: -0.7
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]+	76.039306	110.0
[M+Na]+	98.021248	118.1
[M-H]-	74.024754	110.5
[M+NH4]+	93.065853	133.7
[M+K]+	113.99519	119.3
[M+H-H2O]+	58.029290	105.8
[M+HCOO]-	120.03023	135.1
[M+CH3COO]-	134.04588	162.2
[M+Na-2H]-	96.006696	117.0
[M]+	75.031481	109.3
[M]-	75.032579	109.3

Literature stripe

literature stripe

Patent stripe

patents stripe