CID 116408

2-chloro-n-(2-thiophenemethyl)diethylamine hydrochloride

Structural Information

Molecular Formula
C9H14ClNS
SMILES
CCN(CCCl)CC1=CC=CS1
InChI
InChI=1S/C9H14ClNS/c1-2-11(6-5-10)8-9-4-3-7-12-9/h3-4,7H,2,5-6,8H2,1H3
InChIKey
JVRULEGXMQEMKQ-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05354 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06082 144.3
[M+Na]+ 226.04276 155.3
[M+NH4]+ 221.08736 154.4
[M+K]+ 242.01670 147.3
[M-H]- 202.04626 147.4
[M+Na-2H]- 224.02821 150.0
[M]+ 203.05299 147.4
[M]- 203.05409 147.4
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

No patent data available for this compound.