CID 21117068

[4-(2-methylpropyl)cyclohexyl] hexanoate

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCC(=O)OC1CCC(CC1)CC(C)C
InChI
InChI=1S/C16H30O2/c1-4-5-6-7-16(17)18-15-10-8-14(9-11-15)12-13(2)3/h13-15H,4-12H2,1-3H3
InChIKey
VEYKUZNBICFYCJ-UHFFFAOYSA-N
Compound name
[4-(2-methylpropyl)cyclohexyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 166.8
[M+Na]+ 277.213798 168.9
[M-H]- 253.217304 168.5
[M+NH4]+ 272.258403 183.7
[M+K]+ 293.187738 167.3
[M+H-H2O]+ 237.221840 160.2
[M+HCOO]- 299.222781 183.3
[M+CH3COO]- 313.238431 198.9
[M+Na-2H]- 275.199246 165.0
[M]+ 254.22403142 166.2
[M]- 254.22512858 166.2
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.