CID 101288409

95896-79-0

Structural Information

Molecular Formula
C18H34O3
SMILES
C1CCCC(CC1)CCCCCCCCC[C@H](C(=O)O)O
InChI
InChI=1S/C18H34O3/c19-17(18(20)21)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16-17,19H,1-15H2,(H,20,21)/t17-/m1/s1
InChIKey
IMEZCTSDSJOJAC-QGZVFWFLSA-N
Compound name
(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 172.1
[M+Na]+ 321.24002 169.7
[M-H]- 297.24352 171.4
[M+NH4]+ 316.28462 184.2
[M+K]+ 337.21396 171.3
[M+H-H2O]+ 281.24806 166.0
[M+HCOO]- 343.24900 184.7
[M+CH3COO]- 357.26465 201.8
[M+Na-2H]- 319.22547 169.3
[M]+ 298.25025 166.5
[M]- 298.25135 166.5
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.