CID 53350304

2-cyclopropylisonicotinaldehyde

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC1C2=NC=CC(=C2)C=O
InChI
InChI=1S/C9H9NO/c11-6-7-3-4-10-9(5-7)8-1-2-8/h3-6,8H,1-2H2
InChIKey
XIMBNXYJJWSYCA-UHFFFAOYSA-N
Compound name
2-cyclopropylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

147.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 132.2
[M+Na]+ 170.05764 147.4
[M+NH4]+ 165.10224 141.8
[M+K]+ 186.03158 141.7
[M-H]- 146.06114 142.2
[M+Na-2H]- 168.04309 143.2
[M]+ 147.06787 138.3
[M]- 147.06897 138.3
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