CID 165999026

1-[(2r,6s)-2,6-dimethyloxan-4-yl]ethan-1-ol

Structural Information

Molecular Formula
C9H18O2
SMILES
C[C@@H]1CC(C[C@@H](O1)C)C(C)O
InChI
InChI=1S/C9H18O2/c1-6-4-9(8(3)10)5-7(2)11-6/h6-10H,4-5H2,1-3H3/t6-,7+,8?,9?
InChIKey
TXRAXSVORXQRMJ-QPIHLSAKSA-N
Compound name
1-[(2R,6S)-2,6-dimethyloxan-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 136.0
[M+Na]+ 181.119898 141.6
[M-H]- 157.123404 138.6
[M+NH4]+ 176.164503 155.3
[M+K]+ 197.093838 141.9
[M+H-H2O]+ 141.127940 131.1
[M+HCOO]- 203.128881 153.2
[M+CH3COO]- 217.144531 176.9
[M+Na-2H]- 179.105346 139.2
[M]+ 158.13013142 133.4
[M]- 158.13122858 133.4
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.