CID 407726

23184-92-1

Structural Information

Molecular Formula
C4H10ClN
SMILES
CC(C)(CCl)N
InChI
InChI=1S/C4H10ClN/c1-4(2,6)3-5/h3,6H2,1-2H3
InChIKey
VLIVAHJJXAHKFO-UHFFFAOYSA-N
Compound name
1-chloro-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

107.05018 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05746 119.1
[M+Na]+ 130.03940 130.0
[M+NH4]+ 125.08400 128.2
[M+K]+ 146.01334 124.5
[M-H]- 106.04290 119.3
[M+Na-2H]- 128.02485 124.0
[M]+ 107.04963 120.9
[M]- 107.05073 120.9
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