CID 543866

Ethylcyclododecane

Structural Information

Molecular Formula
C14H28
SMILES
CCC1CCCCCCCCCCC1
InChI
InChI=1S/C14H28/c1-2-14-12-10-8-6-4-3-5-7-9-11-13-14/h14H,2-13H2,1H3
InChIKey
NMIFMKIAEYUXQR-UHFFFAOYSA-N
Compound name
ethylcyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

196.2191 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.226376 149.1
[M+Na]+ 219.208318 150.1
[M-H]- 195.211824 148.6
[M+NH4]+ 214.252923 165.3
[M+K]+ 235.182258 149.2
[M+H-H2O]+ 179.216360 146.0
[M+HCOO]- 241.217301 165.0
[M+CH3COO]- 255.232951 179.9
[M+Na-2H]- 217.193766 150.1
[M]+ 196.21855142 138.2
[M]- 196.21964858 138.2
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

patents stripe