CID 101083

Isopropyl 2-pyridyl ketone

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(C)C(=O)C1=CC=CC=N1
InChI
InChI=1S/C9H11NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-7H,1-2H3
InChIKey
OPPJOYDMQXHCFS-UHFFFAOYSA-N
Compound name
2-methyl-1-pyridin-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

149.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 130.4
[M+Na]+ 172.073278 137.6
[M-H]- 148.076784 132.7
[M+NH4]+ 167.117883 150.2
[M+K]+ 188.047218 136.5
[M+H-H2O]+ 132.081320 124.1
[M+HCOO]- 194.082261 152.2
[M+CH3COO]- 208.097911 176.8
[M+Na-2H]- 170.058726 136.4
[M]+ 149.08351142 130.3
[M]- 149.08460858 130.3
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