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
2
Annotation Hits

0
References

97
Patents

195.05316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 140.3
[M+Na]+ 218.042378 148.4
[M-H]- 194.045884 141.4
[M+NH4]+ 213.086983 161.4
[M+K]+ 234.016318 146.6
[M+H-H2O]+ 178.050420 135.5
[M+HCOO]- 240.051361 159.6
[M+CH3COO]- 254.067011 177.7
[M+Na-2H]- 216.027826 141.2
[M]+ 195.05261142 139.7
[M]- 195.05370858 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