CID 43867

2,3,7-trimethyloctane

Structural Information

Molecular Formula
C11H24
SMILES
CC(C)CCCC(C)C(C)C
InChI
InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3
InChIKey
XJKKSYAVEVAGFX-UHFFFAOYSA-N
Compound name
2,3,7-trimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

156.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.19508 141.2
[M+Na]+ 179.17702 150.8
[M+NH4]+ 174.22162 149.5
[M+K]+ 195.15096 145.1
[M-H]- 155.18052 141.2
[M+Na-2H]- 177.16247 144.0
[M]+ 156.18725 142.5
[M]- 156.18835 142.5
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