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

23
Patents

151.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 130.9
[M+Na]+ 174.052538 139.3
[M-H]- 150.056044 133.2
[M+NH4]+ 169.097143 154.6
[M+K]+ 190.026478 137.6
[M+H-H2O]+ 134.060580 125.8
[M+HCOO]- 196.061521 152.6
[M+CH3COO]- 210.077171 171.7
[M+Na-2H]- 172.037986 134.4
[M]+ 151.06277142 129.9
[M]- 151.06386858 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