CID 3819813

80910-10-7

Structural Information

Molecular Formula
C13H16O2
SMILES
C1CC(C2=CC=CC=C2C1)OCC3CO3
InChI
InChI=1S/C13H16O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-2,4,6,11,13H,3,5,7-9H2
InChIKey
CXCMOHXVOQEOBF-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 146.0
[M+Na]+ 227.10426 160.8
[M+NH4]+ 222.14886 156.6
[M+K]+ 243.07820 154.7
[M-H]- 203.10776 158.7
[M+Na-2H]- 225.08971 155.5
[M]+ 204.11449 153.0
[M]- 204.11559 153.0
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.