CID 206664

5h-pyrrolizine, 6,7-dihydro-1-formyl-7-alpha-hydroxy-

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CN2C=CC(=C2[C@H]1O)C=O
InChI
InChI=1S/C8H9NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,5,7,11H,2,4H2/t7-/m0/s1
InChIKey
QJXKHTIRIREIAG-ZETCQYMHSA-N
Compound name
(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.8
[M+Na]+ 174.052538 139.5
[M-H]- 150.056044 132.3
[M+NH4]+ 169.097143 153.9
[M+K]+ 190.026478 137.2
[M+H-H2O]+ 134.060580 124.9
[M+HCOO]- 196.061521 152.5
[M+CH3COO]- 210.077171 172.0
[M+Na-2H]- 172.037986 133.9
[M]+ 151.06277142 129.8
[M]- 151.06386858 129.8
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.