CID 66520389

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

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C)C1=CC(=CN=C1)O
InChI
InChI=1S/C8H11NO/c1-6(2)7-3-8(10)5-9-4-7/h3-6,10H,1-2H3
InChIKey
ZULWJXNGSCEKDB-UHFFFAOYSA-N
Compound name
5-propan-2-ylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.3
[M+Na]+ 160.07328 135.5
[M-H]- 136.07678 128.6
[M+NH4]+ 155.11788 147.4
[M+K]+ 176.04722 133.8
[M+H-H2O]+ 120.08132 121.6
[M+HCOO]- 182.08226 148.7
[M+CH3COO]- 196.09791 172.3
[M+Na-2H]- 158.05873 133.8
[M]+ 137.08351 126.7
[M]- 137.08461 126.7
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