CID 82415092

6-(2-methylpropyl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(C)CC1=NC=C(C=C1)C=O
InChI
InChI=1S/C10H13NO/c1-8(2)5-10-4-3-9(7-12)6-11-10/h3-4,6-8H,5H2,1-2H3
InChIKey
JKIKKRBCZBSLGV-UHFFFAOYSA-N
Compound name
6-(2-methylpropyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 134.4
[M+Na]+ 186.088938 142.4
[M-H]- 162.092444 136.8
[M+NH4]+ 181.133543 154.0
[M+K]+ 202.062878 140.6
[M+H-H2O]+ 146.096980 128.0
[M+HCOO]- 208.097921 156.8
[M+CH3COO]- 222.113571 180.1
[M+Na-2H]- 184.074386 140.3
[M]+ 163.09917142 135.7
[M]- 163.10026858 135.7
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