CID 64981451

4-(aminomethyl)benzene-1-carbothioamide hydrochloride

Structural Information

Molecular Formula
C8H10N2S
SMILES
C1=CC(=CC=C1CN)C(=S)N
InChI
InChI=1S/C8H10N2S/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKey
VDIXSUQWSAHKST-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.05647 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 133.3
[M+Na]+ 189.04569 140.6
[M-H]- 165.04919 136.2
[M+NH4]+ 184.09029 153.3
[M+K]+ 205.01963 136.6
[M+H-H2O]+ 149.05373 127.3
[M+HCOO]- 211.05467 152.5
[M+CH3COO]- 225.07032 181.6
[M+Na-2H]- 187.03114 135.5
[M]+ 166.05592 130.5
[M]- 166.05702 130.5
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