CID 90906

3-chloro-2-methylpropyl(dimethyl)amine

Structural Information

Molecular Formula
C6H14ClN
SMILES
CC(CN(C)C)CCl
InChI
InChI=1S/C6H14ClN/c1-6(4-7)5-8(2)3/h6H,4-5H2,1-3H3
InChIKey
UGXACBBAXFABGT-UHFFFAOYSA-N
Compound name
3-chloro-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

135.08148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08876 129.1
[M+Na]+ 158.07070 136.2
[M-H]- 134.07420 130.8
[M+NH4]+ 153.11530 152.4
[M+K]+ 174.04464 135.6
[M+H-H2O]+ 118.07874 125.3
[M+HCOO]- 180.07968 148.9
[M+CH3COO]- 194.09533 180.4
[M+Na-2H]- 156.05615 134.0
[M]+ 135.08093 132.0
[M]- 135.08203 132.0
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