CID 3017357

62780-73-8

Structural Information

Molecular Formula
C9H13ClN2O
SMILES
C1=CC(=C(C=C1Cl)N)NCCCO
InChI
InChI=1S/C9H13ClN2O/c10-7-2-3-9(8(11)6-7)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2
InChIKey
CVMASFUKIRVFIM-UHFFFAOYSA-N
Compound name
3-(2-amino-4-chloroanilino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

200.07164 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.078916 142.2
[M+Na]+ 223.060858 150.1
[M-H]- 199.064364 144.2
[M+NH4]+ 218.105463 161.2
[M+K]+ 239.034798 145.3
[M+H-H2O]+ 183.068900 137.3
[M+HCOO]- 245.069841 162.3
[M+CH3COO]- 259.085491 186.1
[M+Na-2H]- 221.046306 147.4
[M]+ 200.07109142 141.9
[M]- 200.07218858 141.9
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