CID 21698360

884495-38-9

Structural Information

Molecular Formula
C7H6ClNO
SMILES
CC1=CC(=NC=C1C=O)Cl
InChI
InChI=1S/C7H6ClNO/c1-5-2-7(8)9-3-6(5)4-10/h2-4H,1H3
InChIKey
GDOVQVRMRKHPNI-UHFFFAOYSA-N
Compound name
6-chloro-4-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

155.0138 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.021076 125.5
[M+Na]+ 178.003018 136.7
[M-H]- 154.006524 128.4
[M+NH4]+ 173.047623 146.6
[M+K]+ 193.976958 133.3
[M+H-H2O]+ 138.011060 120.5
[M+HCOO]- 200.012001 145.2
[M+CH3COO]- 214.027651 175.2
[M+Na-2H]- 175.988466 133.1
[M]+ 155.01325142 128.6
[M]- 155.01434858 128.6
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