CID 13364

2-chlorotriethylamine

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
4
Annotation Hits

13
References

7090
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

literature stripe

Patent stripe

patents stripe