CID 104824055

3-(6-methylpyridin-3-yl)prop-2-enal

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1=NC=C(C=C1)/C=C/C=O
InChI
InChI=1S/C9H9NO/c1-8-4-5-9(7-10-8)3-2-6-11/h2-7H,1H3/b3-2+
InChIKey
FAEVNAFKDXGGCJ-NSCUHMNNSA-N
Compound name
(E)-3-(6-methyl-3-pyridinyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

147.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.3
[M+Na]+ 170.057638 137.4
[M-H]- 146.061144 130.9
[M+NH4]+ 165.102243 148.7
[M+K]+ 186.031578 134.8
[M+H-H2O]+ 130.065680 122.2
[M+HCOO]- 192.066621 152.3
[M+CH3COO]- 206.082271 174.7
[M+Na-2H]- 168.043086 136.1
[M]+ 147.06787142 129.2
[M]- 147.06896858 129.2
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