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

8881
Patents

135.08148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.088756 129.0
[M+Na]+ 158.070698 136.3
[M-H]- 134.074204 130.5
[M+NH4]+ 153.115303 152.3
[M+K]+ 174.044638 135.2
[M+H-H2O]+ 118.078740 125.0
[M+HCOO]- 180.079681 149.7
[M+CH3COO]- 194.095331 179.6
[M+Na-2H]- 156.056146 135.1
[M]+ 135.08093142 132.5
[M]- 135.08202858 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

literature stripe

Patent stripe

patents stripe