CID 10726120

Schembl3988008

Structural Information

Molecular Formula
C11H18O2
SMILES
CCOC(=O)CCC1=CCCCC1
InChI
InChI=1S/C11H18O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKey
QZHFGVZUVOQATR-UHFFFAOYSA-N
Compound name
ethyl 3-(cyclohexen-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

182.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.5
[M+Na]+ 205.11990 147.1
[M-H]- 181.12340 145.1
[M+NH4]+ 200.16450 162.2
[M+K]+ 221.09384 146.1
[M+H-H2O]+ 165.12794 136.5
[M+HCOO]- 227.12888 163.2
[M+CH3COO]- 241.14453 181.4
[M+Na-2H]- 203.10535 146.4
[M]+ 182.13013 141.8
[M]- 182.13123 141.8
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.