CID 736213

N-(2,6-dimethylphenyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C9H13N3S
SMILES
CC1=C(C(=CC=C1)C)NC(=S)NN
InChI
InChI=1S/C9H13N3S/c1-6-4-3-5-7(2)8(6)11-9(13)12-10/h3-5H,10H2,1-2H3,(H2,11,12,13)
InChIKey
YEOAXWBYZFHOIZ-UHFFFAOYSA-N
Compound name
1-amino-3-(2,6-dimethylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

195.08302 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 141.5
[M+Na]+ 218.07224 148.4
[M-H]- 194.07574 145.0
[M+NH4]+ 213.11684 160.7
[M+K]+ 234.04618 144.5
[M+H-H2O]+ 178.08028 135.0
[M+HCOO]- 240.08122 161.9
[M+CH3COO]- 254.09687 190.2
[M+Na-2H]- 216.05769 143.9
[M]+ 195.08247 139.4
[M]- 195.08357 139.4
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