CID 2060897

3-aminobenzenecarbothioamide

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1=CC(=CC(=C1)N)C(=S)N
InChI
InChI=1S/C7H8N2S/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
ZKWTUTBIHCNCKU-UHFFFAOYSA-N
Compound name
3-aminobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

152.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 128.9
[M+Na]+ 175.030038 136.6
[M-H]- 151.033544 132.0
[M+NH4]+ 170.074643 149.5
[M+K]+ 191.003978 132.9
[M+H-H2O]+ 135.038080 123.1
[M+HCOO]- 197.039021 148.5
[M+CH3COO]- 211.054671 178.6
[M+Na-2H]- 173.015486 131.6
[M]+ 152.04027142 125.7
[M]- 152.04136858 125.7
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