CID 19622

Cyclopentane-1,2,3,4-tetracarboxylic acid

Structural Information

Molecular Formula
C9H10O8
SMILES
C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
InChIKey
WOSVXXBNNCUXMT-UHFFFAOYSA-N
Compound name
cyclopentane-1,2,3,4-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

16608
Patents

246.03757 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04485 146.4
[M+Na]+ 269.02679 151.8
[M-H]- 245.03029 144.7
[M+NH4]+ 264.07139 162.0
[M+K]+ 285.00073 151.3
[M+H-H2O]+ 229.03483 142.3
[M+HCOO]- 291.03577 161.0
[M+CH3COO]- 305.05142 184.0
[M+Na-2H]- 267.01224 142.6
[M]+ 246.03702 144.0
[M]- 246.03812 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe