CID 522085

2-chloro-3-methylbutane

Structural Information

Molecular Formula
C5H11Cl
SMILES
CC(C)C(C)Cl
InChI
InChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKey
JMTRCXPSDMMAGM-UHFFFAOYSA-N
Compound name
2-chloro-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

106.05493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06221 119.0
[M+Na]+ 129.04415 130.9
[M+NH4]+ 124.08875 128.6
[M+K]+ 145.01809 125.1
[M-H]- 105.04765 119.4
[M+Na-2H]- 127.02960 124.0
[M]+ 106.05438 121.1
[M]- 106.05548 121.1
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

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