CID 131753008

5-(2,6-dimethylheptyl)-3-ethyldihydro-2(3h)-furanone

Structural Information

Molecular Formula
C15H28O2
SMILES
CCC1CC(OC1=O)CC(C)CCCC(C)C
InChI
InChI=1S/C15H28O2/c1-5-13-10-14(17-15(13)16)9-12(4)8-6-7-11(2)3/h11-14H,5-10H2,1-4H3
InChIKey
ULLOYADYWAAQIV-UHFFFAOYSA-N
Compound name
5-(2,6-dimethylheptyl)-3-ethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 163.0
[M+Na]+ 263.19814 167.5
[M-H]- 239.20164 166.2
[M+NH4]+ 258.24274 181.4
[M+K]+ 279.17208 166.8
[M+H-H2O]+ 223.20618 157.5
[M+HCOO]- 285.20712 181.0
[M+CH3COO]- 299.22277 197.4
[M+Na-2H]- 261.18359 161.0
[M]+ 240.20837 165.2
[M]- 240.20947 165.2
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.