CID 10986405

23649-43-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.4
[M+Na]+ 172.07328 138.7
[M-H]- 148.07678 132.9
[M+NH4]+ 167.11788 150.5
[M+K]+ 188.04722 137.0
[M+H-H2O]+ 132.08132 124.6
[M+HCOO]- 194.08226 152.6
[M+CH3COO]- 208.09791 175.4
[M+Na-2H]- 170.05873 139.4
[M]+ 149.08351 131.2
[M]- 149.08461 131.2
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