CID 113441

Octane, 2-chloro-2,6-dimethyl-

Structural Information

Molecular Formula
C10H21Cl
SMILES
CCC(C)CCCC(C)(C)Cl
InChI
InChI=1S/C10H21Cl/c1-5-9(2)7-6-8-10(3,4)11/h9H,5-8H2,1-4H3
InChIKey
JDLSLBJTXRCRNN-UHFFFAOYSA-N
Compound name
2-chloro-2,6-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

176.13318 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.140456 142.5
[M+Na]+ 199.122398 149.2
[M-H]- 175.125904 142.5
[M+NH4]+ 194.167003 164.1
[M+K]+ 215.096338 146.6
[M+H-H2O]+ 159.130440 139.2
[M+HCOO]- 221.131381 158.0
[M+CH3COO]- 235.147031 184.5
[M+Na-2H]- 197.107846 146.5
[M]+ 176.13263142 146.0
[M]- 176.13372858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe