CID 61406

Allyl cyclohexanehexanoate

Structural Information

Molecular Formula
C15H26O2
SMILES
C=CCOC(=O)CCCCCC1CCCCC1
InChI
InChI=1S/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2
InChIKey
MMVNCZIEXUKMHF-UHFFFAOYSA-N
Compound name
prop-2-enyl 6-cyclohexylhexanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

127
Patents

238.19328 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 161.3
[M+Na]+ 261.18250 163.4
[M-H]- 237.18600 162.7
[M+NH4]+ 256.22710 178.5
[M+K]+ 277.15644 160.9
[M+H-H2O]+ 221.19054 154.6
[M+HCOO]- 283.19148 179.3
[M+CH3COO]- 297.20713 193.0
[M+Na-2H]- 259.16795 162.0
[M]+ 238.19273 159.8
[M]- 238.19383 159.8
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