CID 50988717

5-(aminomethyl)-4-cyclopropyl-4h-1,2,4-triazole-3-thiol hydrochloride

Structural Information

Molecular Formula
C6H10N4S
SMILES
C1CC1N2C(=NNC2=S)CN
InChI
InChI=1S/C6H10N4S/c7-3-5-8-9-6(11)10(5)4-1-2-4/h4H,1-3,7H2,(H,9,11)
InChIKey
OUWXYTANRQTXTO-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06262 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06990 136.0
[M+Na]+ 193.05184 147.8
[M-H]- 169.05534 138.6
[M+NH4]+ 188.09644 149.3
[M+K]+ 209.02578 141.7
[M+H-H2O]+ 153.05988 128.7
[M+HCOO]- 215.06082 152.9
[M+CH3COO]- 229.07647 148.2
[M+Na-2H]- 191.03729 137.4
[M]+ 170.06207 136.8
[M]- 170.06317 136.8
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.