CID 76332

Carbamimidothioic acid,2-hydroxyethyl ester

Structural Information

Molecular Formula
C3H8N2OS
SMILES
C(CSC(=N)N)O
InChI
InChI=1S/C3H8N2OS/c4-3(5)7-2-1-6/h6H,1-2H2,(H3,4,5)
InChIKey
CKCQXLZVTHFENO-UHFFFAOYSA-N
Compound name
2-hydroxyethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

120.035736 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04301 122.4
[M+Na]+ 143.02495 128.6
[M-H]- 119.02846 121.1
[M+NH4]+ 138.06956 143.5
[M+K]+ 158.99889 126.7
[M+H-H2O]+ 103.03300 117.2
[M+HCOO]- 165.03394 140.6
[M+CH3COO]- 179.04959 169.6
[M+Na-2H]- 141.01040 125.2
[M]+ 120.03519 119.8
[M]- 120.03628 119.8
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