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
3
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]+ 225.184906 151.8
[M+Na]+ 247.166848 158.2
[M-H]- 223.170354 155.1
[M+NH4]+ 242.211453 172.8
[M+K]+ 263.140788 156.5
[M+H-H2O]+ 207.174890 147.4
[M+HCOO]- 269.175831 170.3
[M+CH3COO]- 283.191481 192.4
[M+Na-2H]- 245.152296 152.7
[M]+ 224.17708142 151.5
[M]- 224.17817858 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.