CID 504349

5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol

Structural Information

Molecular Formula
C9H12ClNO2
SMILES
CC1=NC=C(C(=C1O)COC)CCl
InChI
InChI=1S/C9H12ClNO2/c1-6-9(12)8(5-13-2)7(3-10)4-11-6/h4,12H,3,5H2,1-2H3
InChIKey
CEKWBQCOWGCKFB-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

201.05565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06293 139.3
[M+Na]+ 224.04487 149.9
[M-H]- 200.04837 140.9
[M+NH4]+ 219.08947 158.3
[M+K]+ 240.01881 146.1
[M+H-H2O]+ 184.05291 134.2
[M+HCOO]- 246.05385 157.0
[M+CH3COO]- 260.06950 182.6
[M+Na-2H]- 222.03032 144.6
[M]+ 201.05510 143.8
[M]- 201.05620 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe