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

266
References

72391
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

literature stripe

Patent stripe

patents stripe