CID 9877768

5-nonyloxolan-2-one

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCCCCCC1CCC(=O)O1
InChI
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-12-10-11-13(14)15-12/h12H,2-11H2,1H3
InChIKey
JKAJPOOMLFHWAY-UHFFFAOYSA-N
Compound name
5-nonyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

212.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 153.5
[M+Na]+ 235.16685 158.2
[M-H]- 211.17035 156.3
[M+NH4]+ 230.21145 172.8
[M+K]+ 251.14079 157.2
[M+H-H2O]+ 195.17489 147.7
[M+HCOO]- 257.17583 174.1
[M+CH3COO]- 271.19148 188.5
[M+Na-2H]- 233.15230 155.6
[M]+ 212.17708 155.8
[M]- 212.17818 155.8
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