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-methylpyridin-3-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

147.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 128.3
[M+Na]+ 170.05764 137.4
[M-H]- 146.06114 130.9
[M+NH4]+ 165.10224 148.7
[M+K]+ 186.03158 134.8
[M+H-H2O]+ 130.06568 122.2
[M+HCOO]- 192.06662 152.3
[M+CH3COO]- 206.08227 174.7
[M+Na-2H]- 168.04309 136.1
[M]+ 147.06787 129.2
[M]- 147.06897 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