CID 62538388

1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13Cl2NO
SMILES
COCCC(C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C10H13Cl2NO/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7/h2-3,6,10H,4-5,13H2,1H3
InChIKey
WDNFBDITRUKREU-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

233.03741 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04469 148.3
[M+Na]+ 256.02663 157.2
[M-H]- 232.03013 150.9
[M+NH4]+ 251.07123 167.4
[M+K]+ 272.00057 152.0
[M+H-H2O]+ 216.03467 144.2
[M+HCOO]- 278.03561 162.5
[M+CH3COO]- 292.05126 192.1
[M+Na-2H]- 254.01208 151.3
[M]+ 233.03686 151.5
[M]- 233.03796 151.5
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