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

80
Patents

121.06583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07311 124.3
[M+Na]+ 144.05505 131.9
[M-H]- 120.05855 126.0
[M+NH4]+ 139.09965 148.1
[M+K]+ 160.02899 131.2
[M+H-H2O]+ 104.06309 120.5
[M+HCOO]- 166.06403 145.3
[M+CH3COO]- 180.07968 176.5
[M+Na-2H]- 142.04050 130.9
[M]+ 121.06528 127.4
[M]- 121.06638 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