CID 175299

Einecs 277-060-1

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 156.3
[M+Na]+ 261.18250 162.1
[M-H]- 237.18600 160.5
[M+NH4]+ 256.22710 173.0
[M+K]+ 277.15644 162.1
[M+H-H2O]+ 221.19054 148.0
[M+HCOO]- 283.19148 175.3
[M+CH3COO]- 297.20713 199.0
[M+Na-2H]- 259.16795 157.7
[M]+ 238.19273 168.1
[M]- 238.19383 168.1
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.