CID 57588057

3-(tert-butyl)pyridin-2-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(C)C1=CC=CNC1=O
InChI
InChI=1S/C9H13NO/c1-9(2,3)7-5-4-6-10-8(7)11/h4-6H,1-3H3,(H,10,11)
InChIKey
HAEHMLXFPSRKAK-UHFFFAOYSA-N
Compound name
3-tert-butyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.0
[M+Na]+ 174.08894 145.0
[M+NH4]+ 169.13354 140.1
[M+K]+ 190.06288 139.2
[M-H]- 150.09244 132.8
[M+Na-2H]- 172.07439 138.9
[M]+ 151.09917 134.1
[M]- 151.10027 134.1
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