CID 14543259

33252-22-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.3
[M+Na]+ 174.088938 140.1
[M-H]- 150.092444 132.8
[M+NH4]+ 169.133543 151.1
[M+K]+ 190.062878 137.6
[M+H-H2O]+ 134.096980 126.0
[M+HCOO]- 196.097921 152.0
[M+CH3COO]- 210.113571 173.2
[M+Na-2H]- 172.074386 139.1
[M]+ 151.09917142 130.5
[M]- 151.10026858 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