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: 2
Patents: 246.1256 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.13288	156.2
[M+Na]+	269.11482	168.5
[M+NH4]+	264.15942	164.2
[M+K]+	285.08876	162.0
[M-H]-	245.11832	157.5
[M+Na-2H]-	267.10027	162.2
[M]+	246.12505	158.4
[M]-	246.12615	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe