CID 5005112

N-(2,4-dichlorobenzyl)prop-2-yn-1-amine

Structural Information

Molecular Formula
C10H9Cl2N
SMILES
C#CCNCC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl2N/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h1,3-4,6,13H,5,7H2
InChIKey
BJXNVEGAWLTJGS-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0112 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01848 139.6
[M+Na]+ 236.00042 153.6
[M+NH4]+ 231.04502 145.6
[M+K]+ 251.97436 142.5
[M-H]- 212.00392 135.0
[M+Na-2H]- 233.98587 144.5
[M]+ 213.01065 140.1
[M]- 213.01175 140.1
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.