CID 175299

6-ethoxy-7-methyl-1-pentylbicyclo[3.2.0]heptan-2-one

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
2
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]+ 239.200556 156.3
[M+Na]+ 261.182498 162.1
[M-H]- 237.186004 160.5
[M+NH4]+ 256.227103 173.0
[M+K]+ 277.156438 162.1
[M+H-H2O]+ 221.190540 148.0
[M+HCOO]- 283.191481 175.3
[M+CH3COO]- 297.207131 199.0
[M+Na-2H]- 259.167946 157.7
[M]+ 238.19273142 168.1
[M]- 238.19382858 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.