CID 63757019

4-(aminomethyl)-1,3-dimethyl-1h-pyrazol-5-ol hydrochloride

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC1=C(C(=O)N(N1)C)CN
InChI
InChI=1S/C6H11N3O/c1-4-5(3-7)6(10)9(2)8-4/h8H,3,7H2,1-2H3
InChIKey
LHHBJUDYVRBYMB-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 128.0
[M+Na]+ 164.079428 138.4
[M-H]- 140.082934 128.2
[M+NH4]+ 159.124033 148.3
[M+K]+ 180.053368 135.8
[M+H-H2O]+ 124.087470 121.8
[M+HCOO]- 186.088411 150.9
[M+CH3COO]- 200.104061 174.0
[M+Na-2H]- 162.064876 132.0
[M]+ 141.08966142 126.7
[M]- 141.09075858 126.7
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.