CID 6428758

37722-78-4

Structural Information

Molecular Formula
C12H20O2
SMILES
CCOC(=O)/C=C/1\CCCC(C1)(C)C
InChI
InChI=1S/C12H20O2/c1-4-14-11(13)8-10-6-5-7-12(2,3)9-10/h8H,4-7,9H2,1-3H3/b10-8+
InChIKey
BKHNGPZOPOPDCJ-CSKARUKUSA-N
Compound name
ethyl (2E)-2-(3,3-dimethylcyclohexylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 147.7
[M+Na]+ 219.13555 157.7
[M+NH4]+ 214.18015 157.0
[M+K]+ 235.10949 149.6
[M-H]- 195.13905 148.8
[M+Na-2H]- 217.12100 152.8
[M]+ 196.14578 149.4
[M]- 196.14688 149.4
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.