CID 75405

1-chloro-2,2,4-trimethylpentane

Structural Information

Molecular Formula
C8H17Cl
SMILES
CC(C)CC(C)(C)CCl
InChI
InChI=1S/C8H17Cl/c1-7(2)5-8(3,4)6-9/h7H,5-6H2,1-4H3
InChIKey
JZGIEKAGVWKJMH-UHFFFAOYSA-N
Compound name
1-chloro-2,2,4-trimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

148.10188 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.109156 133.0
[M+Na]+ 171.091098 140.5
[M-H]- 147.094604 133.4
[M+NH4]+ 166.135703 155.7
[M+K]+ 187.065038 138.4
[M+H-H2O]+ 131.099140 130.1
[M+HCOO]- 193.100081 149.2
[M+CH3COO]- 207.115731 178.5
[M+Na-2H]- 169.076546 138.1
[M]+ 148.10133142 135.7
[M]- 148.10242858 135.7
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