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
4
Annotation Hits

0
References

122
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 170.1
[M+NH4]+ 256.22710 168.5
[M+K]+ 277.15644 162.7
[M-H]- 237.18600 162.2
[M+Na-2H]- 259.16795 164.2
[M]+ 238.19273 162.4
[M]- 238.19383 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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