CID 162248

37172-02-4

Structural Information

Molecular Formula
C14H24O2
SMILES
CCC(C)C1CCCCC1(C=C)OC(=O)C
InChI
InChI=1S/C14H24O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h6,11,13H,2,5,7-10H2,1,3-4H3
InChIKey
KOSQMCNVEGXSCQ-UHFFFAOYSA-N
Compound name
(2-butan-2-yl-1-ethenylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

328
Patents

224.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 154.6
[M+Na]+ 247.16685 158.8
[M-H]- 223.17035 157.1
[M+NH4]+ 242.21145 174.8
[M+K]+ 263.14079 157.4
[M+H-H2O]+ 207.17489 149.6
[M+HCOO]- 269.17583 172.0
[M+CH3COO]- 283.19148 191.5
[M+Na-2H]- 245.15230 155.3
[M]+ 224.17708 152.9
[M]- 224.17818 152.9
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