CID 4914692

2,2-dimethyloxan-4-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1(CC(CCO1)O)C
InChI
InChI=1S/C7H14O2/c1-7(2)5-6(8)3-4-9-7/h6,8H,3-5H2,1-2H3
InChIKey
BONHKCQIMVZXBV-UHFFFAOYSA-N
Compound name
2,2-dimethyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

130.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 126.0
[M+Na]+ 153.088598 132.6
[M-H]- 129.092104 128.9
[M+NH4]+ 148.133203 148.2
[M+K]+ 169.062538 133.3
[M+H-H2O]+ 113.096640 122.1
[M+HCOO]- 175.097581 144.9
[M+CH3COO]- 189.113231 168.3
[M+Na-2H]- 151.074046 133.4
[M]+ 130.09883142 123.2
[M]- 130.09992858 123.2
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