CID 443625

11-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

literature stripe

Patent stripe

patents stripe