CID 19884395

1-chloro-3,3-dimethylpentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

134.08623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09351 128.4
[M+Na]+ 157.07545 140.3
[M+NH4]+ 152.12005 137.7
[M+K]+ 173.04939 133.5
[M-H]- 133.07895 128.5
[M+Na-2H]- 155.06090 133.4
[M]+ 134.08568 130.5
[M]- 134.08678 130.5
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