CID 82651014

4-(aminomethyl)-1-methyl-1h-pyrazol-5-ol dihydrochloride

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN1C(=O)C(=CN1)CN
InChI
InChI=1S/C5H9N3O/c1-8-5(9)4(2-6)3-7-8/h3,7H,2,6H2,1H3
InChIKey
VCXBVCRXWKGXMG-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 123.5
[M+Na]+ 150.063778 133.3
[M-H]- 126.067284 123.4
[M+NH4]+ 145.108383 144.0
[M+K]+ 166.037718 131.0
[M+H-H2O]+ 110.071820 117.1
[M+HCOO]- 172.072761 146.7
[M+CH3COO]- 186.088411 169.7
[M+Na-2H]- 148.049226 128.7
[M]+ 127.07401142 121.5
[M]- 127.07510858 121.5
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

No patent data available for this compound.