CID 66918

3-chloro-n,n-diethylpropan-1-amine

Structural Information

Molecular Formula
C7H16ClN
SMILES
CCN(CC)CCCCl
InChI
InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3
InChIKey
WVUULNDRFBHTFG-UHFFFAOYSA-N
Compound name
3-chloro-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

759
Patents

149.09712 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10440 131.5
[M+Na]+ 172.08634 142.6
[M+NH4]+ 167.13094 140.7
[M+K]+ 188.06028 135.5
[M-H]- 148.08984 132.8
[M+Na-2H]- 170.07179 136.6
[M]+ 149.09657 133.6
[M]- 149.09767 133.6
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

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