CID 13364

(2-chloroethyl)diethylamine

Structural Information

Molecular Formula
C6H14ClN
SMILES
CCN(CC)CCCl
InChI
InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3
InChIKey
YMDNODNLFSHHCV-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

8859
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 129.0
[M+Na]+ 158.07070 136.3
[M-H]- 134.07420 130.5
[M+NH4]+ 153.11530 152.3
[M+K]+ 174.04464 135.2
[M+H-H2O]+ 118.07874 125.0
[M+HCOO]- 180.07968 149.7
[M+CH3COO]- 194.09533 179.6
[M+Na-2H]- 156.05615 135.1
[M]+ 135.08093 132.5
[M]- 135.08203 132.5
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

No patent data available for this compound.