CID 121231584

2092545-21-4

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1(COCCC1O)C
InChI
InChI=1S/C7H14O2/c1-7(2)5-9-4-3-6(7)8/h6,8H,3-5H2,1-2H3
InChIKey
CQJFCJPBJHSCFI-UHFFFAOYSA-N
Compound name
3,3-dimethyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.0
[M+Na]+ 153.08860 132.6
[M-H]- 129.09210 128.9
[M+NH4]+ 148.13320 148.2
[M+K]+ 169.06254 133.3
[M+H-H2O]+ 113.09664 122.1
[M+HCOO]- 175.09758 144.9
[M+CH3COO]- 189.11323 168.3
[M+Na-2H]- 151.07405 133.4
[M]+ 130.09883 123.2
[M]- 130.09993 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.