CID 6428756

97890-04-5

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC/C=C/1\CCCC(C1)(C)C
InChI
InChI=1S/C12H20O2/c1-10(13)14-8-6-11-5-4-7-12(2,3)9-11/h6H,4-5,7-9H2,1-3H3/b11-6+
InChIKey
VETKXRAMNAWPAN-IZZDOVSWSA-N
Compound name
[(2E)-2-(3,3-dimethylcyclohexylidene)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.8
[M+Na]+ 219.135548 151.2
[M-H]- 195.139054 148.7
[M+NH4]+ 214.180153 167.3
[M+K]+ 235.109488 149.9
[M+H-H2O]+ 179.143590 141.1
[M+HCOO]- 241.144531 164.9
[M+CH3COO]- 255.160181 184.0
[M+Na-2H]- 217.120996 148.8
[M]+ 196.14578142 143.9
[M]- 196.14687858 143.9
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.