CID 57815512

(5-fluoro-2-methylpyridin-3-yl)methanol

Structural Information

Molecular Formula
C7H8FNO
SMILES
CC1=C(C=C(C=N1)F)CO
InChI
InChI=1S/C7H8FNO/c1-5-6(4-10)2-7(8)3-9-5/h2-3,10H,4H2,1H3
InChIKey
CASOFZLKOLSCJL-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methyl-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

141.05899 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.066266 124.6
[M+Na]+ 164.048208 134.5
[M-H]- 140.051714 125.0
[M+NH4]+ 159.092813 144.8
[M+K]+ 180.022148 132.2
[M+H-H2O]+ 124.056250 118.2
[M+HCOO]- 186.057191 146.3
[M+CH3COO]- 200.072841 172.2
[M+Na-2H]- 162.033656 131.6
[M]+ 141.05844142 123.5
[M]- 141.05953858 123.5
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