CID 72207141

1542944-19-3

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC2=C(C1)N=CC(=C2)C=O
InChI
InChI=1S/C9H9NO/c11-6-7-4-8-2-1-3-9(8)10-5-7/h4-6H,1-3H2
InChIKey
GNCDRRDLOPZRKO-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.0
[M+Na]+ 170.057638 137.1
[M-H]- 146.061144 131.3
[M+NH4]+ 165.102243 151.0
[M+K]+ 186.031578 134.6
[M+H-H2O]+ 130.065680 122.0
[M+HCOO]- 192.066621 151.0
[M+CH3COO]- 206.082271 174.0
[M+Na-2H]- 168.043086 135.2
[M]+ 147.06787142 127.7
[M]- 147.06896858 127.7
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

No patent data available for this compound.