CID 164664645

(5-fluoro-1-methyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C5H7FN2O
SMILES
CN1C(=C(C=N1)CO)F
InChI
InChI=1S/C5H7FN2O/c1-8-5(6)4(3-9)2-7-8/h2,9H,3H2,1H3
InChIKey
XGCXZCCRQPVCKT-UHFFFAOYSA-N
Compound name
(5-fluoro-1-methylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.05424 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06152 121.6
[M+Na]+ 153.04346 132.1
[M-H]- 129.04696 120.7
[M+NH4]+ 148.08806 142.6
[M+K]+ 169.01740 130.5
[M+H-H2O]+ 113.05150 114.8
[M+HCOO]- 175.05244 143.3
[M+CH3COO]- 189.06809 169.1
[M+Na-2H]- 151.02891 127.1
[M]+ 130.05369 121.0
[M]- 130.05479 121.0
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.