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

1
Patents

176.13318 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.14046 142.5
[M+Na]+ 199.12240 149.2
[M-H]- 175.12590 142.5
[M+NH4]+ 194.16700 164.1
[M+K]+ 215.09634 146.6
[M+H-H2O]+ 159.13044 139.2
[M+HCOO]- 221.13138 158.0
[M+CH3COO]- 235.14703 184.5
[M+Na-2H]- 197.10785 146.5
[M]+ 176.13263 146.0
[M]- 176.13373 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