CID 12795082

66635-69-6

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1CN2C=CC(=C2C1C(=O)O)C(=O)O
InChI
InChI=1S/C9H9NO4/c11-8(12)5-1-3-10-4-2-6(7(5)10)9(13)14/h1,3,6H,2,4H2,(H,11,12)(H,13,14)
InChIKey
YVNBPFCIKDDTSM-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

195.05316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 140.3
[M+Na]+ 218.04238 148.4
[M-H]- 194.04588 141.4
[M+NH4]+ 213.08698 161.4
[M+K]+ 234.01632 146.6
[M+H-H2O]+ 178.05042 135.5
[M+HCOO]- 240.05136 159.6
[M+CH3COO]- 254.06701 177.7
[M+Na-2H]- 216.02783 141.2
[M]+ 195.05261 139.7
[M]- 195.05371 139.7
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

patents stripe