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-[(2S,6R)-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]+ 159.13796 136.0
[M+Na]+ 181.11990 141.6
[M-H]- 157.12340 138.6
[M+NH4]+ 176.16450 155.3
[M+K]+ 197.09384 141.9
[M+H-H2O]+ 141.12794 131.1
[M+HCOO]- 203.12888 153.2
[M+CH3COO]- 217.14453 176.9
[M+Na-2H]- 179.10535 139.2
[M]+ 158.13013 133.4
[M]- 158.13123 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.