CID 21468117

1-(oxan-2-yl)propan-2-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(CC1CCCCO1)O
InChI
InChI=1S/C8H16O2/c1-7(9)6-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3
InChIKey
QQFGIEKVRKWTCS-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.6
[M+Na]+ 167.10426 136.6
[M-H]- 143.10776 134.5
[M+NH4]+ 162.14886 151.7
[M+K]+ 183.07820 137.2
[M+H-H2O]+ 127.11230 127.3
[M+HCOO]- 189.11324 150.1
[M+CH3COO]- 203.12889 171.6
[M+Na-2H]- 165.08971 137.6
[M]+ 144.11449 128.8
[M]- 144.11559 128.8
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

patents stripe