CID 10464339

5-methylpyridine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

389
Patents

121.052765 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe