CID 20186453

2-(1,2,3,4-tetrahydronaphthalen-1-yl)oxirane

Structural Information

Molecular Formula
C12H14O
SMILES
C1CC(C2=CC=CC=C2C1)C3CO3
InChI
InChI=1S/C12H14O/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-12/h1-2,4,6,11-12H,3,5,7-8H2
InChIKey
SRFHPPKLAORVBB-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydronaphthalen-1-yl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 135.2
[M+Na]+ 197.093678 143.8
[M-H]- 173.097184 143.8
[M+NH4]+ 192.138283 150.4
[M+K]+ 213.067618 142.2
[M+H-H2O]+ 157.101720 128.3
[M+HCOO]- 219.102661 155.6
[M+CH3COO]- 233.118311 148.5
[M+Na-2H]- 195.079126 143.7
[M]+ 174.10391142 135.6
[M]- 174.10500858 135.6
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.