CID 567920

Cyclohexylsuccinic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CCC(CC1)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C10H16O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKey
FROUMWCGMNOSBK-UHFFFAOYSA-N
Compound name
2-cyclohexylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

656
Patents

200.10486 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.3
[M+Na]+ 223.09408 147.9
[M-H]- 199.09758 144.8
[M+NH4]+ 218.13868 162.2
[M+K]+ 239.06802 147.0
[M+H-H2O]+ 183.10212 139.8
[M+HCOO]- 245.10306 160.3
[M+CH3COO]- 259.11871 179.4
[M+Na-2H]- 221.07953 145.3
[M]+ 200.10431 139.9
[M]- 200.10541 139.9
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