CID 11686949

(6-chloro-5-methylpyridin-3-yl)methanol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=CC(=CN=C1Cl)CO
InChI
InChI=1S/C7H8ClNO/c1-5-2-6(4-10)3-9-7(5)8/h2-3,10H,4H2,1H3
InChIKey
UVGILPAOAYLZIQ-UHFFFAOYSA-N
Compound name
(6-chloro-5-methyl-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 127.5
[M+Na]+ 180.018648 138.0
[M-H]- 156.022154 129.0
[M+NH4]+ 175.063253 148.0
[M+K]+ 195.992588 134.2
[M+H-H2O]+ 140.026690 122.8
[M+HCOO]- 202.027631 145.6
[M+CH3COO]- 216.043281 173.4
[M+Na-2H]- 178.004096 134.6
[M]+ 157.02888142 129.4
[M]- 157.02997858 129.4
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