CID 10465749

2-hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC1=C(C=CN=C1CO)OCCCOC
InChI
InChI=1S/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3
InChIKey
OLBSXXZEMRBFIG-UHFFFAOYSA-N
Compound name
[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

211.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.8
[M+Na]+ 234.11007 154.6
[M-H]- 210.11357 147.8
[M+NH4]+ 229.15467 164.0
[M+K]+ 250.08401 152.8
[M+H-H2O]+ 194.11811 140.0
[M+HCOO]- 256.11905 168.6
[M+CH3COO]- 270.13470 185.7
[M+Na-2H]- 232.09552 152.1
[M]+ 211.12030 151.2
[M]- 211.12140 151.2
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