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

26
Patents

152.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.9
[M+Na]+ 175.03004 136.6
[M-H]- 151.03354 132.0
[M+NH4]+ 170.07464 149.5
[M+K]+ 191.00398 132.9
[M+H-H2O]+ 135.03808 123.1
[M+HCOO]- 197.03902 148.5
[M+CH3COO]- 211.05467 178.6
[M+Na-2H]- 173.01549 131.6
[M]+ 152.04027 125.7
[M]- 152.04137 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