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 129.2
[M+Na]+ 164.07943 138.1
[M-H]- 140.08293 129.2
[M+NH4]+ 159.12403 149.2
[M+K]+ 180.05337 136.7
[M+H-H2O]+ 124.08747 122.8
[M+HCOO]- 186.08841 151.0
[M+CH3COO]- 200.10406 174.5
[M+Na-2H]- 162.06488 132.8
[M]+ 141.08966 127.6
[M]- 141.09076 127.6
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.