CID 51072184

50675-23-5

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1(CC(CCO1)CO)C
InChI
InChI=1S/C8H16O2/c1-8(2)5-7(6-9)3-4-10-8/h7,9H,3-6H2,1-2H3
InChIKey
IHXUJOUBCCPWGV-UHFFFAOYSA-N
Compound name
(2,2-dimethyloxan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

144.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 130.6
[M+Na]+ 167.104258 136.8
[M-H]- 143.107764 133.3
[M+NH4]+ 162.148863 152.3
[M+K]+ 183.078198 137.2
[M+H-H2O]+ 127.112300 126.5
[M+HCOO]- 189.113241 149.2
[M+CH3COO]- 203.128891 171.4
[M+Na-2H]- 165.089706 137.5
[M]+ 144.11449142 128.2
[M]- 144.11558858 128.2
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

patents stripe