CID 175299

72928-26-8

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCCC12C(C(C1CCC2=O)OCC)C
InChI
InChI=1S/C15H26O2/c1-4-6-7-10-15-11(3)14(17-5-2)12(15)8-9-13(15)16/h11-12,14H,4-10H2,1-3H3
InChIKey
GDKZYNYQEYOOFW-UHFFFAOYSA-N
Compound name
6-ethoxy-7-methyl-1-pentylbicyclo[3.2.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 158.5
[M+Na]+ 261.18250 163.2
[M+NH4]+ 256.22710 164.0
[M+K]+ 277.15644 158.3
[M-H]- 237.18600 156.5
[M+Na-2H]- 259.16795 158.6
[M]+ 238.19273 157.4
[M]- 238.19383 157.4
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.