CID 16228528

2-[5-amino-3-(2-methylphenyl)-1h-pyrazol-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=CC=CC=C1C2=NN(C(=C2)N)CCO
InChI
InChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)11-8-12(13)15(14-11)6-7-16/h2-5,8,16H,6-7,13H2,1H3
InChIKey
LBEMQCUNQVODFA-UHFFFAOYSA-N
Compound name
2-[5-amino-3-(2-methylphenyl)pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.7
[M+Na]+ 240.110718 157.6
[M-H]- 216.114224 151.8
[M+NH4]+ 235.155323 165.6
[M+K]+ 256.084658 153.3
[M+H-H2O]+ 200.118760 140.8
[M+HCOO]- 262.119701 171.1
[M+CH3COO]- 276.135351 188.4
[M+Na-2H]- 238.096166 152.1
[M]+ 217.12095142 148.0
[M]- 217.12204858 148.0
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.