CID 6428138

2,3-dihydro-1h-pyrrolizine-5-carbaldehyde

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=CC=C(N2C1)C=O
InChI
InChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2
InChIKey
XDRGCZAFSAFSLR-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

135.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 126.7
[M+Na]+ 158.057638 136.0
[M-H]- 134.061144 130.2
[M+NH4]+ 153.102243 151.9
[M+K]+ 174.031578 134.2
[M+H-H2O]+ 118.065680 121.3
[M+HCOO]- 180.066621 150.7
[M+CH3COO]- 194.082271 171.5
[M+Na-2H]- 156.043086 131.8
[M]+ 135.06787142 126.7
[M]- 135.06896858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe