CID 82594794

1509635-59-9

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC2=CC(=CN2C1)C(=O)O
InChI
InChI=1S/C8H9NO2/c10-8(11)6-4-7-2-1-3-9(7)5-6/h4-5H,1-3H2,(H,10,11)
InChIKey
KDBCAWAGTHKQEM-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

151.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.9
[M+Na]+ 174.05254 139.3
[M-H]- 150.05604 133.2
[M+NH4]+ 169.09714 154.6
[M+K]+ 190.02648 137.6
[M+H-H2O]+ 134.06058 125.8
[M+HCOO]- 196.06152 152.6
[M+CH3COO]- 210.07717 171.7
[M+Na-2H]- 172.03799 134.4
[M]+ 151.06277 129.9
[M]- 151.06387 129.9
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