CID 545626

2-methyl-6-propyldodecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCC(CCC)CCCC(C)C
InChI
InChI=1S/C16H34/c1-5-7-8-9-13-16(11-6-2)14-10-12-15(3)4/h15-16H,5-14H2,1-4H3
InChIKey
IRPVTCCKIFKMEU-UHFFFAOYSA-N
Compound name
2-methyl-6-propyldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.26605 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 165.7
[M+Na]+ 249.255268 168.4
[M-H]- 225.258774 164.4
[M+NH4]+ 244.299873 184.2
[M+K]+ 265.229208 166.5
[M+H-H2O]+ 209.263310 159.8
[M+HCOO]- 271.264251 184.2
[M+CH3COO]- 285.279901 199.3
[M+Na-2H]- 247.240716 164.9
[M]+ 226.26550142 169.5
[M]- 226.26659858 169.5
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