CID 15182357

2,6-dimethyloxan-4-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1CC(CC(O1)C)O
InChI
InChI=1S/C7H14O2/c1-5-3-7(8)4-6(2)9-5/h5-8H,3-4H2,1-2H3
InChIKey
BHFMWPOZZNNSRV-UHFFFAOYSA-N
Compound name
2,6-dimethyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.4
[M+Na]+ 153.08860 133.1
[M-H]- 129.09210 129.3
[M+NH4]+ 148.13320 146.9
[M+K]+ 169.06254 133.5
[M+H-H2O]+ 113.09664 121.9
[M+HCOO]- 175.09758 145.3
[M+CH3COO]- 189.11323 169.9
[M+Na-2H]- 151.07405 132.0
[M]+ 130.09883 123.7
[M]- 130.09993 123.7
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