CID 142259

3-chloro-2-methylpentane

Structural Information

Molecular Formula
C6H13Cl
SMILES
CCC(C(C)C)Cl
InChI
InChI=1S/C6H13Cl/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3
InChIKey
FCPXHGJZKRXGJY-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

120.07058 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.077856 124.2
[M+Na]+ 143.059798 131.7
[M-H]- 119.063304 124.6
[M+NH4]+ 138.104403 147.7
[M+K]+ 159.033738 130.3
[M+H-H2O]+ 103.067840 121.1
[M+HCOO]- 165.068781 141.5
[M+CH3COO]- 179.084431 173.0
[M+Na-2H]- 141.045246 128.5
[M]+ 120.07003142 125.9
[M]- 120.07112858 125.9
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