CID 139758

2-ethyladamantane

Structural Information

Molecular Formula
C12H20
SMILES
CCC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C12H20/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3
InChIKey
LIAWCKFOFPPVGF-UHFFFAOYSA-N
Compound name
2-ethyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19191
Patents

164.1565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 139.2
[M+Na]+ 187.145718 141.3
[M-H]- 163.149224 134.9
[M+NH4]+ 182.190323 165.1
[M+K]+ 203.119658 138.3
[M+H-H2O]+ 147.153760 133.8
[M+HCOO]- 209.154701 146.8
[M+CH3COO]- 223.170351 148.7
[M+Na-2H]- 185.131166 148.8
[M]+ 164.15595142 138.4
[M]- 164.15704858 138.4
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