CID 131839797

2-nonylcyclopropaneheptanoic acid

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCCCC1CC1CCCCCCC(=O)O
InChI
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
InChIKey
MGPDYNWGYUWLEE-UHFFFAOYSA-N
Compound name
7-(2-nonylcyclopropyl)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.27155 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 176.1
[M+Na]+ 319.26077 180.6
[M-H]- 295.26427 177.6
[M+NH4]+ 314.30537 186.6
[M+K]+ 335.23471 175.5
[M+H-H2O]+ 279.26881 168.9
[M+HCOO]- 341.26975 194.4
[M+CH3COO]- 355.28540 209.1
[M+Na-2H]- 317.24622 175.0
[M]+ 296.27100 183.4
[M]- 296.27210 183.4
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.