CID 11434983

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

Structural Information

Molecular Formula
C8H11NO
SMILES
CC[C@H](C1=CC=CC=N1)O
InChI
InChI=1S/C8H11NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6,8,10H,2H2,1H3/t8-/m1/s1
InChIKey
OBUPVPZCSVEBQN-MRVPVSSYSA-N
Compound name
(1R)-1-pyridin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 127.9
[M+Na]+ 160.07328 135.1
[M-H]- 136.07678 128.8
[M+NH4]+ 155.11788 147.6
[M+K]+ 176.04722 133.4
[M+H-H2O]+ 120.08132 121.8
[M+HCOO]- 182.08226 149.3
[M+CH3COO]- 196.09791 171.1
[M+Na-2H]- 158.05873 135.0
[M]+ 137.08351 126.9
[M]- 137.08461 126.9
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