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]+ 251.200556 162.6
[M+Na]+ 273.182498 165.6
[M-H]- 249.186004 164.9
[M+NH4]+ 268.227103 179.6
[M+K]+ 289.156438 164.2
[M+H-H2O]+ 233.190540 156.5
[M+HCOO]- 295.191481 178.8
[M+CH3COO]- 309.207131 199.4
[M+Na-2H]- 271.167946 159.6
[M]+ 250.19273142 161.5
[M]- 250.19382858 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.