CID 18000579

Dtxsid00592379

Structural Information

Molecular Formula
C11H18O2
SMILES
CCC1(CCCC1)OC(=O)C(=C)C
InChI
InChI=1S/C11H18O2/c1-4-11(7-5-6-8-11)13-10(12)9(2)3/h2,4-8H2,1,3H3
InChIKey
FMEBJQQRPGHVOR-UHFFFAOYSA-N
Compound name
(1-ethylcyclopentyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2279
Patents

182.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.8
[M+Na]+ 205.119898 149.2
[M-H]- 181.123404 146.7
[M+NH4]+ 200.164503 167.2
[M+K]+ 221.093838 148.3
[M+H-H2O]+ 165.127940 139.4
[M+HCOO]- 227.128881 164.3
[M+CH3COO]- 241.144531 181.0
[M+Na-2H]- 203.105346 145.4
[M]+ 182.13013142 142.6
[M]- 182.13122858 142.6
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

patents stripe