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

221
Patents

121.052765 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 120.1
[M+Na]+ 144.04198 129.7
[M-H]- 120.04549 123.0
[M+NH4]+ 139.08659 141.6
[M+K]+ 160.01592 128.3
[M+H-H2O]+ 104.05002 114.3
[M+HCOO]- 166.05097 144.6
[M+CH3COO]- 180.06662 170.2
[M+Na-2H]- 142.02743 129.0
[M]+ 121.05222 121.0
[M]- 121.05331 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