CID 2723593

N-acetylthiourea

Structural Information

Molecular Formula
C3H6N2OS
SMILES
CC(=O)NC(=S)N
InChI
InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
InChIKey
IPCRBOOJBPETMF-UHFFFAOYSA-N
Compound name
N-carbamothioylacetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

3215
Patents

118.02008 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02736 122.1
[M+Na]+ 141.00930 128.9
[M-H]- 117.01280 122.4
[M+NH4]+ 136.05390 144.0
[M+K]+ 156.98324 127.8
[M+H-H2O]+ 101.01734 116.9
[M+HCOO]- 163.01828 141.0
[M+CH3COO]- 177.03393 171.4
[M+Na-2H]- 138.99475 124.1
[M]+ 118.01953 120.1
[M]- 118.02063 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe