CID 102718

2-(hexyloxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCCOC1CCCCO1
InChI
InChI=1S/C11H22O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h11H,2-10H2,1H3
InChIKey
LMUWFXQGRIPPJK-UHFFFAOYSA-N
Compound name
2-hexoxyoxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

186.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 145.3
[M+Na]+ 209.151208 148.7
[M-H]- 185.154714 147.9
[M+NH4]+ 204.195813 163.5
[M+K]+ 225.125148 149.0
[M+H-H2O]+ 169.159250 139.0
[M+HCOO]- 231.160191 164.3
[M+CH3COO]- 245.175841 182.5
[M+Na-2H]- 207.136656 150.4
[M]+ 186.16144142 145.1
[M]- 186.16253858 145.1
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