CID 199258

Hc 1657

Structural Information

Molecular Formula
C15H18O3
SMILES
CC(CO)(CO)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C15H18O3/c1-15(9-16,10-17)11-18-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,16-17H,9-11H2,1H3
InChIKey
NSBBGDHVTCXAQV-UHFFFAOYSA-N
Compound name
2-methyl-2-(naphthalen-2-yloxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.132876 156.6
[M+Na]+ 269.114818 163.2
[M-H]- 245.118324 158.1
[M+NH4]+ 264.159423 173.7
[M+K]+ 285.088758 159.4
[M+H-H2O]+ 229.122860 150.7
[M+HCOO]- 291.123801 175.1
[M+CH3COO]- 305.139451 189.3
[M+Na-2H]- 267.100266 164.0
[M]+ 246.12505142 157.9
[M]- 246.12614858 157.9
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