CID 19775

2,6,10-trimethylpentadecane

Structural Information

Molecular Formula
C18H38
SMILES
CCCCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3
InChIKey
LBWPYRZGHYVSEL-UHFFFAOYSA-N
Compound name
2,6,10-trimethylpentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

254.29735 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.304626 175.2
[M+Na]+ 277.286568 176.8
[M-H]- 253.290074 173.6
[M+NH4]+ 272.331173 192.5
[M+K]+ 293.260508 174.8
[M+H-H2O]+ 237.294610 169.0
[M+HCOO]- 299.295551 192.0
[M+CH3COO]- 313.311201 206.0
[M+Na-2H]- 275.272016 172.0
[M]+ 254.29680142 179.1
[M]- 254.29789858 179.1
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