CID 24990066

1035265-72-5

Structural Information

Molecular Formula
C15H24O4
SMILES
COC(=O)C1CCC(CC1)C2CCC(CC2)C(=O)O
InChI
InChI=1S/C15H24O4/c1-19-15(18)13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(16)17/h10-13H,2-9H2,1H3,(H,16,17)
InChIKey
PTEHWLBLJSKDFG-UHFFFAOYSA-N
Compound name
4-(4-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.16745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 163.8
[M+Na]+ 291.15667 165.1
[M-H]- 267.16017 167.1
[M+NH4]+ 286.20127 178.7
[M+K]+ 307.13061 163.4
[M+H-H2O]+ 251.16471 156.9
[M+HCOO]- 313.16565 176.8
[M+CH3COO]- 327.18130 194.8
[M+Na-2H]- 289.14212 161.3
[M]+ 268.16690 156.6
[M]- 268.16800 156.6
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

patents stripe