CID 129726852

2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCCCCCCCCCC=C=CC1CC1C(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)20/h12,14,16-17H,2-11,15H2,1H3,(H,19,20)
InChIKey
UJLCTWQAXHCCFC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 170.1
[M+Na]+ 301.21380 175.7
[M-H]- 277.21730 172.0
[M+NH4]+ 296.25840 181.3
[M+K]+ 317.18774 169.7
[M+H-H2O]+ 261.22184 163.3
[M+HCOO]- 323.22278 189.2
[M+CH3COO]- 337.23843 203.4
[M+Na-2H]- 299.19925 169.6
[M]+ 278.22403 175.6
[M]- 278.22513 175.6
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

No patent data available for this compound.