CID 3041853

58708-63-7

Structural Information

Molecular Formula
C4H10N2OS2
SMILES
C(C(CNC(=S)S)O)N
InChI
InChI=1S/C4H10N2OS2/c5-1-3(7)2-6-4(8)9/h3,7H,1-2,5H2,(H2,6,8,9)
InChIKey
AHEZFWHPXCMTJQ-UHFFFAOYSA-N
Compound name
(3-amino-2-hydroxypropyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02345 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03073 131.9
[M+Na]+ 189.01267 137.0
[M-H]- 165.01617 129.7
[M+NH4]+ 184.05727 150.9
[M+K]+ 204.98661 133.3
[M+H-H2O]+ 149.02071 126.0
[M+HCOO]- 211.02165 142.3
[M+CH3COO]- 225.03730 178.5
[M+Na-2H]- 186.99812 131.1
[M]+ 166.02290 129.6
[M]- 166.02400 129.6
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.