CID 203280

Hc 1658

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(CO)(CO)COC1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C15H22O3/c1-15(9-16,10-17)11-18-14-7-6-12-4-2-3-5-13(12)8-14/h6-8,16-17H,2-5,9-11H2,1H3
InChIKey
XNNKPNJEMYLRGN-UHFFFAOYSA-N
Compound name
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 158.4
[M+Na]+ 273.14611 168.8
[M+NH4]+ 268.19071 166.2
[M+K]+ 289.12005 162.8
[M-H]- 249.14961 159.3
[M+Na-2H]- 271.13156 162.6
[M]+ 250.15634 160.0
[M]- 250.15744 160.0
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.