CID 175610

94333-51-4

Structural Information

Molecular Formula
C14H24O2
SMILES
CCOC(=O)C1C(=CC)C(CCC1(C)C)C
InChI
InChI=1S/C14H24O2/c1-6-11-10(3)8-9-14(4,5)12(11)13(15)16-7-2/h6,10,12H,7-9H2,1-5H3
InChIKey
DGWVYBNIXRBVCF-UHFFFAOYSA-N
Compound name
ethyl 6-ethylidene-2,2,5-trimethylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 151.8
[M+Na]+ 247.16685 158.2
[M-H]- 223.17035 155.1
[M+NH4]+ 242.21145 172.8
[M+K]+ 263.14079 156.5
[M+H-H2O]+ 207.17489 147.4
[M+HCOO]- 269.17583 170.3
[M+CH3COO]- 283.19148 192.4
[M+Na-2H]- 245.15230 152.7
[M]+ 224.17708 151.5
[M]- 224.17818 151.5
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.