CID 62553063

1-(pyridin-3-yl)propan-2-ol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(CC1=CN=CC=C1)O
InChI
InChI=1S/C8H11NO/c1-7(10)5-8-3-2-4-9-6-8/h2-4,6-7,10H,5H2,1H3
InChIKey
ZZGYMHSITKCXJY-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.0
[M+Na]+ 160.07328 140.7
[M+NH4]+ 155.11788 136.6
[M+K]+ 176.04722 134.7
[M-H]- 136.07678 129.4
[M+Na-2H]- 158.05873 135.3
[M]+ 137.08351 130.1
[M]- 137.08461 130.1
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