CID 132343875

3-(1-aminoethyl)-1-methyl-1h-pyrazol-4-ol dihydrochloride

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC(C1=NN(C=C1O)C)N
InChI
InChI=1S/C6H11N3O/c1-4(7)6-5(10)3-9(2)8-6/h3-4,10H,7H2,1-2H3
InChIKey
RYFSOJLJCKEYBP-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-1-methylpyrazol-4-ol
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 128.8
[M+Na]+ 164.07943 138.6
[M+NH4]+ 159.12403 135.8
[M+K]+ 180.05337 136.8
[M-H]- 140.08293 128.5
[M+Na-2H]- 162.06488 132.8
[M]+ 141.08966 129.7
[M]- 141.09076 129.7
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.

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No patent data available for this compound.