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

22
Patents

134.08623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.093506 128.8
[M+Na]+ 157.075448 136.9
[M-H]- 133.078954 129.2
[M+NH4]+ 152.120053 152.0
[M+K]+ 173.049388 134.7
[M+H-H2O]+ 117.083490 126.0
[M+HCOO]- 179.084431 146.2
[M+CH3COO]- 193.100081 174.7
[M+Na-2H]- 155.060896 135.6
[M]+ 134.08568142 131.7
[M]- 134.08677858 131.7
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