CID 101698

473-35-8

Structural Information

Molecular Formula
C10H16O4
SMILES
CC(C)(C1CCC(C1)C(=O)O)C(=O)O
InChI
InChI=1S/C10H16O4/c1-10(2,9(13)14)7-4-3-6(5-7)8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
QSRHRQWRLFGZKS-UHFFFAOYSA-N
Compound name
3-(2-carboxypropan-2-yl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 144.7
[M+Na]+ 223.094078 149.8
[M-H]- 199.097584 145.2
[M+NH4]+ 218.138683 164.1
[M+K]+ 239.068018 148.8
[M+H-H2O]+ 183.102120 140.6
[M+HCOO]- 245.103061 161.3
[M+CH3COO]- 259.118711 179.6
[M+Na-2H]- 221.079526 145.2
[M]+ 200.10431142 142.0
[M]- 200.10540858 142.0
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

No patent data available for this compound.