CID 313498

27843-27-2

Structural Information

Molecular Formula
C6H11Cl
SMILES
CC(C)(C)C(=C)Cl
InChI
InChI=1S/C6H11Cl/c1-5(7)6(2,3)4/h1H2,2-4H3
InChIKey
MVMWZSSWTKRGLB-UHFFFAOYSA-N
Compound name
2-chloro-3,3-dimethylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

118.05493 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06221 123.7
[M+Na]+ 141.04415 135.5
[M+NH4]+ 136.08875 132.8
[M+K]+ 157.01809 129.7
[M-H]- 117.04765 123.4
[M+Na-2H]- 139.02960 128.5
[M]+ 118.05438 125.6
[M]- 118.05548 125.6
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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