CID 3023718

5-(2,6-dimethylheptyl)dihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C13H24O2
SMILES
CC(C)CCCC(C)CC1CCC(=O)O1
InChI
InChI=1S/C13H24O2/c1-10(2)5-4-6-11(3)9-12-7-8-13(14)15-12/h10-12H,4-9H2,1-3H3
InChIKey
BTTSJYDTMZIVIN-UHFFFAOYSA-N
Compound name
5-(2,6-dimethylheptyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 154.7
[M+Na]+ 235.166848 159.0
[M-H]- 211.170354 157.8
[M+NH4]+ 230.211453 173.9
[M+K]+ 251.140788 158.8
[M+H-H2O]+ 195.174890 149.2
[M+HCOO]- 257.175831 173.3
[M+CH3COO]- 271.191481 190.2
[M+Na-2H]- 233.152296 154.3
[M]+ 212.17708142 155.7
[M]- 212.17817858 155.7
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.