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-methyl-2-pyridinyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.8
[M+Na]+ 174.088938 139.8
[M-H]- 150.092444 132.8
[M+NH4]+ 169.133543 151.3
[M+K]+ 190.062878 137.4
[M+H-H2O]+ 134.096980 125.7
[M+HCOO]- 196.097921 153.8
[M+CH3COO]- 210.113571 174.4
[M+Na-2H]- 172.074386 138.9
[M]+ 151.09917142 132.2
[M]- 151.10026858 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