CID 19361721

6-cyclopropylpicolinaldehyde

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC1C2=CC=CC(=N2)C=O
InChI
InChI=1S/C9H9NO/c11-6-8-2-1-3-9(10-8)7-4-5-7/h1-3,6-7H,4-5H2
InChIKey
OEBPATOPDYFHIV-UHFFFAOYSA-N
Compound name
6-cyclopropylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

147.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 131.6
[M+Na]+ 170.057638 142.2
[M-H]- 146.061144 138.2
[M+NH4]+ 165.102243 146.9
[M+K]+ 186.031578 139.1
[M+H-H2O]+ 130.065680 124.4
[M+HCOO]- 192.066621 155.9
[M+CH3COO]- 206.082271 178.3
[M+Na-2H]- 168.043086 139.3
[M]+ 147.06787142 134.1
[M]- 147.06896858 134.1
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