CID 85558

1,1-cyclopentanediacetic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
C1CCC(C1)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
InChIKey
FWPVKDFOUXHOKQ-UHFFFAOYSA-N
Compound name
2-[1-(carboxymethyl)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

947
Patents

186.0892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 142.4
[M+Na]+ 209.07842 148.9
[M+NH4]+ 204.12302 149.7
[M+K]+ 225.05236 145.9
[M-H]- 185.08192 140.3
[M+Na-2H]- 207.06387 144.9
[M]+ 186.08865 142.3
[M]- 186.08975 142.3
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