CID 22504306

(2-chloro-6-methylpyridin-4-yl)methanol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=CC(=CC(=N1)Cl)CO
InChI
InChI=1S/C7H8ClNO/c1-5-2-6(4-10)3-7(8)9-5/h2-3,10H,4H2,1H3
InChIKey
YXPVCSWOMRFRCS-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylpyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.5
[M+Na]+ 180.01865 138.0
[M-H]- 156.02215 129.0
[M+NH4]+ 175.06325 148.0
[M+K]+ 195.99259 134.2
[M+H-H2O]+ 140.02669 122.8
[M+HCOO]- 202.02763 145.6
[M+CH3COO]- 216.04328 173.4
[M+Na-2H]- 178.00410 134.6
[M]+ 157.02888 129.4
[M]- 157.02998 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