CID 3034727

Einecs 257-953-2

Structural Information

Molecular Formula
C3H7NOS2
SMILES
C(CO)NC(=S)S
InChI
InChI=1S/C3H7NOS2/c5-2-1-4-3(6)7/h5H,1-2H2,(H2,4,6,7)
InChIKey
MMLBEXXDOLIGCR-UHFFFAOYSA-N
Compound name
2-hydroxyethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

136.9969 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.00418 123.6
[M+Na]+ 159.98612 130.4
[M-H]- 135.98962 122.5
[M+NH4]+ 155.03072 144.7
[M+K]+ 175.96006 127.2
[M+H-H2O]+ 119.99416 118.6
[M+HCOO]- 181.99510 135.3
[M+CH3COO]- 196.01075 170.5
[M+Na-2H]- 157.97157 124.7
[M]+ 136.99635 123.6
[M]- 136.99745 123.6
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