CID 11018908

Carbamothioylmethyl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OCC(=S)N

InChI

InChI=1S/C4H7NO2S/c1-3(6)7-2-4(5)8/h2H2,1H3,(H2,5,8)

InChIKey

JJDXREXQSCIIJY-UHFFFAOYSA-N

Compound name

(2-amino-2-sulfanylideneethyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 133.01974 Da
Monoisotopic Mass: -0.3
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]+	134.027016	125.4
[M+Na]+	156.008958	132.5
[M-H]-	132.012464	125.6
[M+NH4]+	151.053563	147.1
[M+K]+	171.982898	131.8
[M+H-H2O]+	116.017000	120.4
[M+HCOO]-	178.017941	143.4
[M+CH3COO]-	192.033591	172.2
[M+Na-2H]-	153.994406	126.8
[M]+	133.01919142	126.2
[M]-	133.02028858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe