CID 19854761

120690-79-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 130.4
[M+Na]+ 172.073278 138.7
[M-H]- 148.076784 132.9
[M+NH4]+ 167.117883 150.5
[M+K]+ 188.047218 137.0
[M+H-H2O]+ 132.081320 124.6
[M+HCOO]- 194.082261 152.6
[M+CH3COO]- 208.097911 175.4
[M+Na-2H]- 170.058726 139.4
[M]+ 149.08351142 131.2
[M]- 149.08460858 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