CID 57512862

(2,6-dichloro-4-methylpyridin-3-yl)methanol

Structural Information

Molecular Formula
C7H7Cl2NO
SMILES
CC1=CC(=NC(=C1CO)Cl)Cl
InChI
InChI=1S/C7H7Cl2NO/c1-4-2-6(8)10-7(9)5(4)3-11/h2,11H,3H2,1H3
InChIKey
UVMXJOJDQBRPOZ-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-methylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

190.99046 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99774 132.5
[M+Na]+ 213.97968 144.1
[M-H]- 189.98318 133.5
[M+NH4]+ 209.02428 152.1
[M+K]+ 229.95362 139.0
[M+H-H2O]+ 173.98772 128.6
[M+HCOO]- 235.98866 145.4
[M+CH3COO]- 250.00431 179.4
[M+Na-2H]- 211.96513 138.1
[M]+ 190.98991 135.6
[M]- 190.99101 135.6
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