CID 41311

4-ethyltetradecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCCCCCC(CC)CCC
InChI
InChI=1S/C16H34/c1-4-7-8-9-10-11-12-13-15-16(6-3)14-5-2/h16H,4-15H2,1-3H3
InChIKey
VATHPUANTMAJQR-UHFFFAOYSA-N
Compound name
4-ethyltetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

226.26605 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.27333 165.2
[M+Na]+ 249.25527 168.1
[M-H]- 225.25877 163.8
[M+NH4]+ 244.29987 183.8
[M+K]+ 265.22921 165.8
[M+H-H2O]+ 209.26331 159.2
[M+HCOO]- 271.26425 184.7
[M+CH3COO]- 285.27990 198.5
[M+Na-2H]- 247.24072 165.7
[M]+ 226.26550 169.7
[M]- 226.26660 169.7
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.