CID 116851

70715-17-2

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=NC(=CC=C1)CCCOCCO
InChI
InChI=1S/C11H17NO2/c1-10-4-2-5-11(12-10)6-3-8-14-9-7-13/h2,4-5,13H,3,6-9H2,1H3
InChIKey
OIUHSFKEXYXWSD-UHFFFAOYSA-N
Compound name
2-[3-(6-methyl-2-pyridinyl)propoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

195.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.2
[M+Na]+ 218.115148 151.2
[M-H]- 194.118654 144.7
[M+NH4]+ 213.159753 161.8
[M+K]+ 234.089088 148.8
[M+H-H2O]+ 178.123190 137.3
[M+HCOO]- 240.124131 165.7
[M+CH3COO]- 254.139781 182.5
[M+Na-2H]- 216.100596 150.2
[M]+ 195.12538142 146.7
[M]- 195.12647858 146.7
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