CID 3033587

(carbamothioylamino)carbamodithioic acid

Structural Information

Molecular Formula
C2H5N3S3
SMILES
C(=S)(N)NNC(=S)S
InChI
InChI=1S/C2H5N3S3/c3-1(6)4-5-2(7)8/h(H3,3,4,6)(H2,5,7,8)
InChIKey
WGXQCZBJLRYCHG-UHFFFAOYSA-N
Compound name
(carbamothioylamino)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

166.96455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.97183 128.7
[M+Na]+ 189.95377 134.2
[M-H]- 165.95727 127.1
[M+NH4]+ 184.99837 147.2
[M+K]+ 205.92771 128.1
[M+H-H2O]+ 149.96181 122.0
[M+HCOO]- 211.96275 135.1
[M+CH3COO]- 225.97840 181.8
[M+Na-2H]- 187.93922 128.5
[M]+ 166.96400 123.6
[M]- 166.96510 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