CID 109132

61744-43-2

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=NC(=CC=C1)CCCO
InChI
InChI=1S/C9H13NO/c1-8-4-2-5-9(10-8)6-3-7-11/h2,4-5,11H,3,6-7H2,1H3
InChIKey
DJPVDQYTBDDIAM-UHFFFAOYSA-N
Compound name
3-(6-methylpyridin-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.8
[M+Na]+ 174.08894 139.8
[M-H]- 150.09244 132.8
[M+NH4]+ 169.13354 151.3
[M+K]+ 190.06288 137.4
[M+H-H2O]+ 134.09698 125.7
[M+HCOO]- 196.09792 153.8
[M+CH3COO]- 210.11357 174.4
[M+Na-2H]- 172.07439 138.9
[M]+ 151.09917 132.2
[M]- 151.10027 132.2
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