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]+ 175.11174 135.2
[M+Na]+ 197.09368 143.8
[M-H]- 173.09718 143.8
[M+NH4]+ 192.13828 150.4
[M+K]+ 213.06762 142.2
[M+H-H2O]+ 157.10172 128.3
[M+HCOO]- 219.10266 155.6
[M+CH3COO]- 233.11831 148.5
[M+Na-2H]- 195.07913 143.7
[M]+ 174.10391 135.6
[M]- 174.10501 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.