CID 10486

2-chloro-2-methylpropane

Structural Information

Molecular Formula
C4H9Cl
SMILES
CC(C)(C)Cl
InChI
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
InChIKey
NBRKLOOSMBRFMH-UHFFFAOYSA-N
Compound name
2-chloro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

16995
Patents

92.039276 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.046552 114.8
[M+Na]+ 115.02849 127.4
[M+NH4]+ 110.07310 124.7
[M+K]+ 131.00243 121.3
[M-H]- 91.032000 115.1
[M+Na-2H]- 113.01394 120.7
[M]+ 92.038727 117.1
[M]- 92.039825 117.1
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

patents stripe