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

185
Patents

130.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.4
[M+Na]+ 153.08860 137.5
[M+NH4]+ 148.13320 136.8
[M+K]+ 169.06254 130.7
[M-H]- 129.09210 129.3
[M+Na-2H]- 151.07405 132.5
[M]+ 130.09883 128.9
[M]- 130.09993 128.9
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