CID 3819813

2-[(1,2,3,4-tetrahydronaphthalen-1-yloxy)methyl]oxirane

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 143.5
[M+Na]+ 227.10426 151.6
[M-H]- 203.10776 151.9
[M+NH4]+ 222.14886 157.4
[M+K]+ 243.07820 150.1
[M+H-H2O]+ 187.11230 136.2
[M+HCOO]- 249.11324 163.6
[M+CH3COO]- 263.12889 156.2
[M+Na-2H]- 225.08971 151.3
[M]+ 204.11449 145.6
[M]- 204.11559 145.6
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.