CID 1501880

3-methyl-4-pyridinecarboxaldehyde

Structural Information

Molecular Formula
C7H7NO
SMILES
CC1=C(C=CN=C1)C=O
InChI
InChI=1S/C7H7NO/c1-6-4-8-3-2-7(6)5-9/h2-5H,1H3
InChIKey
JFFOBFAGCSLMSV-UHFFFAOYSA-N
Compound name
3-methylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

121.052765 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.060041 120.1
[M+Na]+ 144.041983 129.7
[M-H]- 120.045489 123.0
[M+NH4]+ 139.086588 141.6
[M+K]+ 160.015923 128.3
[M+H-H2O]+ 104.050025 114.3
[M+HCOO]- 166.050966 144.6
[M+CH3COO]- 180.066616 170.2
[M+Na-2H]- 142.027431 129.0
[M]+ 121.05221642 121.0
[M]- 121.05331358 121.0
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