CID 7785

5-undecyloxolan-2-one

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCCCCC1CCC(=O)O1
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15(16)17-14/h14H,2-13H2,1H3
InChIKey
RYPZHXPJXWHTCF-UHFFFAOYSA-N
Compound name
5-undecyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

240.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 162.7
[M+Na]+ 263.19814 166.7
[M-H]- 239.20164 165.2
[M+NH4]+ 258.24274 180.9
[M+K]+ 279.17208 165.1
[M+H-H2O]+ 223.20618 156.6
[M+HCOO]- 285.20712 182.7
[M+CH3COO]- 299.22277 194.5
[M+Na-2H]- 261.18359 163.7
[M]+ 240.20837 165.8
[M]- 240.20947 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe