CID 135574821

As-triazin-5-ol, 3-(4-aminopyrazol-1-yl)-6-methyl-, hydrochloride

Structural Information

Molecular Formula
C7H8N6O
SMILES
CC1=NN=C(NC1=O)N2C=C(C=N2)N
InChI
InChI=1S/C7H8N6O/c1-4-6(14)10-7(12-11-4)13-3-5(8)2-9-13/h2-3H,8H2,1H3,(H,10,12,14)
InChIKey
PFIMRGSSVDSXHT-UHFFFAOYSA-N
Compound name
3-(4-aminopyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07596 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08324 141.0
[M+Na]+ 215.06518 152.5
[M-H]- 191.06868 140.9
[M+NH4]+ 210.10978 154.7
[M+K]+ 231.03912 147.9
[M+H-H2O]+ 175.07322 131.7
[M+HCOO]- 237.07416 161.0
[M+CH3COO]- 251.08981 153.1
[M+Na-2H]- 213.05063 146.6
[M]+ 192.07541 139.4
[M]- 192.07651 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

No patent data available for this compound.