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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 156.6
[M+Na]+ 269.11482 163.2
[M-H]- 245.11832 158.1
[M+NH4]+ 264.15942 173.7
[M+K]+ 285.08876 159.4
[M+H-H2O]+ 229.12286 150.7
[M+HCOO]- 291.12380 175.1
[M+CH3COO]- 305.13945 189.3
[M+Na-2H]- 267.10027 164.0
[M]+ 246.12505 157.9
[M]- 246.12615 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