CID 61204

710-04-3

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
InChIKey
YZRXRLLRSPQHDK-UHFFFAOYSA-N
Compound name
6-hexyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

4394
Patents

184.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.3
[M+Na]+ 207.13555 148.0
[M-H]- 183.13905 146.4
[M+NH4]+ 202.18015 161.9
[M+K]+ 223.10949 147.7
[M+H-H2O]+ 167.14359 137.4
[M+HCOO]- 229.14453 162.6
[M+CH3COO]- 243.16018 182.7
[M+Na-2H]- 205.12100 147.8
[M]+ 184.14578 142.8
[M]- 184.14688 142.8
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.