CID 57588057

125641-60-3

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

302
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 131.3
[M+Na]+ 174.08894 140.1
[M-H]- 150.09244 132.8
[M+NH4]+ 169.13354 151.1
[M+K]+ 190.06288 137.6
[M+H-H2O]+ 134.09698 126.0
[M+HCOO]- 196.09792 152.0
[M+CH3COO]- 210.11357 173.2
[M+Na-2H]- 172.07439 139.1
[M]+ 151.09917 130.5
[M]- 151.10027 130.5
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