CID 524245

1-chloro-4,4-dimethylpentane

Structural Information

Molecular Formula
C7H15Cl
SMILES
CC(C)(C)CCCCl
InChI
InChI=1S/C7H15Cl/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3
InChIKey
LEQALULJXWQRKX-UHFFFAOYSA-N
Compound name
1-chloro-4,4-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

134.08623 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.093506 129.0
[M+Na]+ 157.075448 137.2
[M-H]- 133.078954 129.4
[M+NH4]+ 152.120053 152.3
[M+K]+ 173.049388 135.0
[M+H-H2O]+ 117.083490 126.2
[M+HCOO]- 179.084431 146.4
[M+CH3COO]- 193.100081 174.0
[M+Na-2H]- 155.060896 135.8
[M]+ 134.08568142 131.8
[M]- 134.08677858 131.8
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