CID 6599

Dimethyldithiocarbamic acid

Structural Information

Molecular Formula
C3H7NS2
SMILES
CN(C)C(=S)S
InChI
InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
InChIKey
MZGNSEAPZQGJRB-UHFFFAOYSA-N
Compound name
dimethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

267
References

75215
Patents

121.00199 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.00927 119.7
[M+Na]+ 143.99121 127.3
[M-H]- 119.99471 121.8
[M+NH4]+ 139.03581 142.9
[M+K]+ 159.96515 126.2
[M+H-H2O]+ 103.99925 114.5
[M+HCOO]- 166.00019 133.0
[M+CH3COO]- 180.01584 174.7
[M+Na-2H]- 141.97666 120.5
[M]+ 121.00144 121.4
[M]- 121.00254 121.4
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

No patent data available for this compound.