CID 23079319

110464-72-7

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CN=C(C(=C1OC)C)C=O
InChI
InChI=1S/C9H11NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4-5H,1-3H3
InChIKey
NDJIJFXLFOPISB-UHFFFAOYSA-N
Compound name
4-methoxy-3,5-dimethylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 131.4
[M+Na]+ 188.068198 142.0
[M-H]- 164.071704 134.7
[M+NH4]+ 183.112803 151.7
[M+K]+ 204.042138 140.6
[M+H-H2O]+ 148.076240 125.5
[M+HCOO]- 210.077181 155.5
[M+CH3COO]- 224.092831 180.6
[M+Na-2H]- 186.053646 137.8
[M]+ 165.07843142 135.3
[M]- 165.07952858 135.3
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