CID 117180

25379-26-4

Structural Information

Molecular Formula
C18H20O3
SMILES
C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C18H20O3/c19-18(20)15(12-16-8-4-10-21-16)11-14-7-3-6-13-5-1-2-9-17(13)14/h1-3,5-7,9,15-16H,4,8,10-12H2,(H,19,20)
InChIKey
VEJYFDMNWGFBCT-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9
Patents

284.14124 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 167.3
[M+Na]+ 307.13046 171.4
[M-H]- 283.13396 173.2
[M+NH4]+ 302.17506 183.1
[M+K]+ 323.10440 168.6
[M+H-H2O]+ 267.13850 160.3
[M+HCOO]- 329.13944 184.3
[M+CH3COO]- 343.15509 197.9
[M+Na-2H]- 305.11591 168.8
[M]+ 284.14069 165.8
[M]- 284.14179 165.8
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.