CID 118175

1,2-propanediol, 3-(2-naphthyloxy)-

Structural Information

Molecular Formula
C13H14O3
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC(CO)O
InChI
InChI=1S/C13H14O3/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14-15H,8-9H2
InChIKey
VKXGYKMQYZFKAP-UHFFFAOYSA-N
Compound name
3-naphthalen-2-yloxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 146.8
[M+Na]+ 241.08352 153.5
[M-H]- 217.08702 148.5
[M+NH4]+ 236.12812 164.9
[M+K]+ 257.05746 150.3
[M+H-H2O]+ 201.09156 140.8
[M+HCOO]- 263.09250 166.6
[M+CH3COO]- 277.10815 183.8
[M+Na-2H]- 239.06897 153.3
[M]+ 218.09375 147.3
[M]- 218.09485 147.3
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