CID 20650

Methyl-ethyl-beta-chloroethylamine hydrochloride

Structural Information

Molecular Formula
C5H12ClN
SMILES
CCN(C)CCCl
InChI
InChI=1S/C5H12ClN/c1-3-7(2)5-4-6/h3-5H2,1-2H3
InChIKey
LKFZXNUTEIHUEH-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

121.06583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.073106 124.3
[M+Na]+ 144.055048 131.9
[M-H]- 120.058554 126.0
[M+NH4]+ 139.099653 148.1
[M+K]+ 160.028988 131.2
[M+H-H2O]+ 104.063090 120.5
[M+HCOO]- 166.064031 145.3
[M+CH3COO]- 180.079681 176.5
[M+Na-2H]- 142.040496 130.9
[M]+ 121.06528142 127.4
[M]- 121.06637858 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe