CID 25088288

Einecs 307-429-5

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)C(C=C)C1=CCC(CC1)C(C)OC(=O)C
InChI
InChI=1S/C16H26O2/c1-6-16(11(2)3)15-9-7-14(8-10-15)12(4)18-13(5)17/h6,9,11-12,14,16H,1,7-8,10H2,2-5H3
InChIKey
GDDQYNHOYHCQMZ-UHFFFAOYSA-N
Compound name
1-[4-(4-methylpent-1-en-3-yl)cyclohex-3-en-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 162.6
[M+Na]+ 273.18250 165.6
[M-H]- 249.18600 164.9
[M+NH4]+ 268.22710 179.6
[M+K]+ 289.15644 164.2
[M+H-H2O]+ 233.19054 156.5
[M+HCOO]- 295.19148 178.8
[M+CH3COO]- 309.20713 199.4
[M+Na-2H]- 271.16795 159.6
[M]+ 250.19273 161.5
[M]- 250.19383 161.5
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.