CID 1501874

55589-47-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

660
Patents

121.052765 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 121.7
[M+Na]+ 144.04198 135.9
[M+NH4]+ 139.08659 130.7
[M+K]+ 160.01592 129.1
[M-H]- 120.04549 123.7
[M+Na-2H]- 142.02743 129.9
[M]+ 121.05222 124.3
[M]- 121.05331 124.3
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