CID 119031804

5h,6h,7h-cyclopenta[b]pyridine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 128.0
[M+Na]+ 170.05764 137.1
[M-H]- 146.06114 131.3
[M+NH4]+ 165.10224 151.0
[M+K]+ 186.03158 134.6
[M+H-H2O]+ 130.06568 122.0
[M+HCOO]- 192.06662 151.0
[M+CH3COO]- 206.08227 174.0
[M+Na-2H]- 168.04309 135.2
[M]+ 147.06787 127.7
[M]- 147.06897 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.