CID 519404

3,5-dimethylundecane

Structural Information

Molecular Formula
C13H28
SMILES
CCCCCCC(C)CC(C)CC
InChI
InChI=1S/C13H28/c1-5-7-8-9-10-13(4)11-12(3)6-2/h12-13H,5-11H2,1-4H3
InChIKey
YSUJWFQMTUVXNQ-UHFFFAOYSA-N
Compound name
3,5-dimethylundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

184.2191 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.226376 151.8
[M+Na]+ 207.208318 155.7
[M-H]- 183.211824 151.0
[M+NH4]+ 202.252923 172.0
[M+K]+ 223.182258 154.6
[M+H-H2O]+ 167.216360 146.5
[M+HCOO]- 229.217301 171.3
[M+CH3COO]- 243.232951 190.3
[M+Na-2H]- 205.193766 152.6
[M]+ 184.21855142 154.4
[M]- 184.21964858 154.4
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