CID 418309

3-{[(3,4-dichlorophenyl)methyl]amino}propan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H13Cl2NO
SMILES
C1=CC(=C(C=C1CNCCCO)Cl)Cl
InChI
InChI=1S/C10H13Cl2NO/c11-9-3-2-8(6-10(9)12)7-13-4-1-5-14/h2-3,6,13-14H,1,4-5,7H2
InChIKey
WIKFFALWKXCIRI-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

233.03741 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04469 148.0
[M+Na]+ 256.02663 156.7
[M-H]- 232.03013 149.6
[M+NH4]+ 251.07123 166.7
[M+K]+ 272.00057 150.6
[M+H-H2O]+ 216.03467 144.1
[M+HCOO]- 278.03561 162.3
[M+CH3COO]- 292.05126 189.3
[M+Na-2H]- 254.01208 152.7
[M]+ 233.03686 150.9
[M]- 233.03796 150.9
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

No patent data available for this compound.