CID 198489

Ns00035861

Structural Information

Molecular Formula
C11H18O4
SMILES
C[C@@]1(CC[C@@](C1(C)C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C11H18O4/c1-9(2)10(3,7(12)13)5-6-11(9,4)8(14)15/h5-6H2,1-4H3,(H,12,13)(H,14,15)/t10-,11+
InChIKey
WYYSEKAAKFGNSL-PHIMTYICSA-N
Compound name
cis-(1S,3R)-1,2,2,3-tetramethylcyclopentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 142.9
[M+Na]+ 237.109728 151.1
[M-H]- 213.113234 144.4
[M+NH4]+ 232.154333 168.0
[M+K]+ 253.083668 150.0
[M+H-H2O]+ 197.117770 142.1
[M+HCOO]- 259.118711 160.8
[M+CH3COO]- 273.134361 182.9
[M+Na-2H]- 235.095176 146.0
[M]+ 214.11996142 142.9
[M]- 214.12105858 142.9
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.