CID 529345

142896-09-1

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(C)C1=CC(=NC=C1)C(=O)C
InChI
InChI=1S/C10H13NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-7H,1-3H3
InChIKey
BWJDKYNJXZATRV-UHFFFAOYSA-N
Compound name
1-(4-propan-2-yl-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
Patents

163.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 134.2
[M+Na]+ 186.088938 142.0
[M-H]- 162.092444 136.7
[M+NH4]+ 181.133543 153.8
[M+K]+ 202.062878 140.7
[M+H-H2O]+ 146.096980 128.0
[M+HCOO]- 208.097921 155.7
[M+CH3COO]- 222.113571 181.0
[M+Na-2H]- 184.074386 139.0
[M]+ 163.09917142 134.9
[M]- 163.10026858 134.9
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