CID 138040325

3-(2-aminoethyl)-4-chloroaniline

Structural Information

Molecular Formula
C8H11ClN2
SMILES
C1=CC(=C(C=C1N)CCN)Cl
InChI
InChI=1S/C8H11ClN2/c9-8-2-1-7(11)5-6(8)3-4-10/h1-2,5H,3-4,10-11H2
InChIKey
KPJVZLKHTXIKTD-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-4-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 133.2
[M+Na]+ 193.05030 145.8
[M+NH4]+ 188.09490 142.5
[M+K]+ 209.02424 138.8
[M-H]- 169.05380 136.9
[M+Na-2H]- 191.03575 140.4
[M]+ 170.06053 136.2
[M]- 170.06163 136.2
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

patents stripe