CID 443625

Omega-cycloheptylundecanoic acid

Structural Information

Molecular Formula
C18H34O2
SMILES
C1CCCC(CC1)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)
InChIKey
OMZUUGOYASJZKP-UHFFFAOYSA-N
Compound name
11-cycloheptylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

282.2559 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 169.0
[M+Na]+ 305.24512 167.2
[M-H]- 281.24862 169.5
[M+NH4]+ 300.28972 182.5
[M+K]+ 321.21906 168.3
[M+H-H2O]+ 265.25316 162.8
[M+HCOO]- 327.25410 183.7
[M+CH3COO]- 341.26975 201.6
[M+Na-2H]- 303.23057 167.7
[M]+ 282.25535 164.3
[M]- 282.25645 164.3
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.