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

95
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 122.1
[M+Na]+ 141.04415 130.8
[M-H]- 117.04765 122.9
[M+NH4]+ 136.08875 146.0
[M+K]+ 157.01809 128.7
[M+H-H2O]+ 101.05219 119.8
[M+HCOO]- 163.05313 139.1
[M+CH3COO]- 177.06878 170.8
[M+Na-2H]- 139.02960 128.4
[M]+ 118.05438 123.3
[M]- 118.05548 123.3
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