CID 61143

2-chloro-2-methylbutane

Structural Information

Molecular Formula
C5H11Cl
SMILES
CCC(C)(C)Cl
InChI
InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3
InChIKey
CRNIHJHMEQZAAS-UHFFFAOYSA-N
Compound name
2-chloro-2-methylbutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1285
Patents

106.05493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.062206 119.3
[M+Na]+ 129.044148 128.2
[M-H]- 105.047654 120.0
[M+NH4]+ 124.088753 143.6
[M+K]+ 145.018088 126.5
[M+H-H2O]+ 89.052190 116.9
[M+HCOO]- 151.053131 137.3
[M+CH3COO]- 165.068781 168.6
[M+Na-2H]- 127.029596 127.2
[M]+ 106.05438142 121.4
[M]- 106.05547858 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe