CID 39868

Bunema

Structural Information

Molecular Formula
C3H7NOS2
SMILES
CN(CO)C(=S)S
InChI
InChI=1S/C3H7NOS2/c1-4(2-5)3(6)7/h5H,2H2,1H3,(H,6,7)
InChIKey
UOULMNPQNCAUDL-UHFFFAOYSA-N
Compound name
hydroxymethyl(methyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

992
Patents

136.9969 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.00418 123.8
[M+Na]+ 159.98612 130.8
[M-H]- 135.98962 124.3
[M+NH4]+ 155.03072 145.6
[M+K]+ 175.96006 129.0
[M+H-H2O]+ 119.99416 118.6
[M+HCOO]- 181.99510 136.0
[M+CH3COO]- 196.01075 173.9
[M+Na-2H]- 157.97157 124.3
[M]+ 136.99635 125.1
[M]- 136.99745 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe