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

78
Patents

134.08623 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09351 129.0
[M+Na]+ 157.07545 137.2
[M-H]- 133.07895 129.4
[M+NH4]+ 152.12005 152.3
[M+K]+ 173.04939 135.0
[M+H-H2O]+ 117.08349 126.2
[M+HCOO]- 179.08443 146.4
[M+CH3COO]- 193.10008 174.0
[M+Na-2H]- 155.06090 135.8
[M]+ 134.08568 131.8
[M]- 134.08678 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