CID 66271256

3-(4-methylpyridin-3-yl)propanal

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=C(C=NC=C1)CCC=O
InChI
InChI=1S/C9H11NO/c1-8-4-5-10-7-9(8)3-2-6-11/h4-7H,2-3H2,1H3
InChIKey
KEZHLGAPFPFBRR-UHFFFAOYSA-N
Compound name
3-(4-methylpyridin-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.5
[M+Na]+ 172.07328 138.3
[M-H]- 148.07678 132.0
[M+NH4]+ 167.11788 149.8
[M+K]+ 188.04722 136.3
[M+H-H2O]+ 132.08132 123.3
[M+HCOO]- 194.08226 153.3
[M+CH3COO]- 208.09791 176.2
[M+Na-2H]- 170.05873 137.3
[M]+ 149.08351 131.1
[M]- 149.08461 131.1
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