CID 519397

3-ethylundecane

Structural Information

Molecular Formula
C13H28
SMILES
CCCCCCCCC(CC)CC
InChI
InChI=1S/C13H28/c1-4-7-8-9-10-11-12-13(5-2)6-3/h13H,4-12H2,1-3H3
InChIKey
NJDOLAPZCLPAHZ-UHFFFAOYSA-N
Compound name
3-ethylundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

184.2191 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.226376 151.4
[M+Na]+ 207.208318 155.5
[M-H]- 183.211824 150.6
[M+NH4]+ 202.252923 171.6
[M+K]+ 223.182258 154.0
[M+H-H2O]+ 167.216360 146.0
[M+HCOO]- 229.217301 171.9
[M+CH3COO]- 243.232951 189.5
[M+Na-2H]- 205.193766 153.5
[M]+ 184.21855142 154.7
[M]- 184.21964858 154.7
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