CID 17028076

2-(1-methyl-1h-pyrazol-4-yl)ethanol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CN1C=C(C=N1)CCO
InChI
InChI=1S/C6H10N2O/c1-8-5-6(2-3-9)4-7-8/h4-5,9H,2-3H2,1H3
InChIKey
ZQEOCSYOGWFPTB-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

126.079315 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.5
[M+Na]+ 149.06853 133.6
[M-H]- 125.07204 124.4
[M+NH4]+ 144.11314 145.4
[M+K]+ 165.04247 132.2
[M+H-H2O]+ 109.07658 118.1
[M+HCOO]- 171.07752 146.9
[M+CH3COO]- 185.09317 168.2
[M+Na-2H]- 147.05398 130.6
[M]+ 126.07877 124.9
[M]- 126.07986 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe