CID 14612631

2-(1-adamantyl)oxirane

Structural Information

Molecular Formula
C12H18O
SMILES
C1C2CC3CC1CC(C2)(C3)C4CO4
InChI
InChI=1S/C12H18O/c1-8-2-10-3-9(1)5-12(4-8,6-10)11-7-13-11/h8-11H,1-7H2
InChIKey
PQZLOWONDMXBIN-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

178.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 138.3
[M+Na]+ 201.12499 143.1
[M-H]- 177.12849 138.5
[M+NH4]+ 196.16959 158.7
[M+K]+ 217.09893 141.1
[M+H-H2O]+ 161.13303 130.8
[M+HCOO]- 223.13397 144.3
[M+CH3COO]- 237.14962 148.0
[M+Na-2H]- 199.11044 150.0
[M]+ 178.13522 140.5
[M]- 178.13632 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe