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]+ 142.09749 128.3
[M+Na]+ 164.07943 138.9
[M+NH4]+ 159.12403 135.1
[M+K]+ 180.05337 136.3
[M-H]- 140.08293 128.0
[M+Na-2H]- 162.06488 132.3
[M]+ 141.08966 129.3
[M]- 141.09076 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.