CID 89147284

1-(5-methyl-1h-pyrazol-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC1=CC(=NN1)C(C)O
InChI
InChI=1S/C6H10N2O/c1-4-3-6(5(2)9)8-7-4/h3,5,9H,1-2H3,(H,7,8)
InChIKey
DLZOVKXVVBTQQB-UHFFFAOYSA-N
Compound name
1-(5-methyl-1H-pyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 125.8
[M+Na]+ 149.06853 134.3
[M-H]- 125.07204 124.5
[M+NH4]+ 144.11314 146.0
[M+K]+ 165.04247 132.4
[M+H-H2O]+ 109.07658 119.8
[M+HCOO]- 171.07752 145.7
[M+CH3COO]- 185.09317 166.5
[M+Na-2H]- 147.05398 130.2
[M]+ 126.07877 123.8
[M]- 126.07986 123.8
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

patents stripe