CID 524261

Dtxsid801227683

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1=CCC(CC1)C(C)OC(=O)C
InChI
InChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h4,9,11H,5-7H2,1-3H3
InChIKey
MUAYHOYVOVZJFF-UHFFFAOYSA-N
Compound name
1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 141.6
[M+Na]+ 205.11990 146.9
[M-H]- 181.12340 144.7
[M+NH4]+ 200.16450 161.6
[M+K]+ 221.09384 146.4
[M+H-H2O]+ 165.12794 136.0
[M+HCOO]- 227.12888 161.3
[M+CH3COO]- 241.14453 183.4
[M+Na-2H]- 203.10535 143.6
[M]+ 182.13013 140.6
[M]- 182.13123 140.6
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.