CID 12762342

83467-31-6

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC1=C(C(=NN1)C)CCO

InChI

InChI=1S/C7H12N2O/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3,(H,8,9)

InChIKey

HXTNUHPVNBFSDN-UHFFFAOYSA-N

Compound name

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 140.09496 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.102236	129.7
[M+Na]+	163.084178	139.0
[M-H]-	139.087684	128.5
[M+NH4]+	158.128783	149.7
[M+K]+	179.058118	136.3
[M+H-H2O]+	123.092220	123.7
[M+HCOO]-	185.093161	150.3
[M+CH3COO]-	199.108811	169.8
[M+Na-2H]-	161.069626	134.1
[M]+	140.09441142	129.0
[M]-	140.09550858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe