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

13
Patents

233.03741 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.044686 148.3
[M+Na]+ 256.026628 157.2
[M-H]- 232.030134 150.9
[M+NH4]+ 251.071233 167.4
[M+K]+ 272.000568 152.0
[M+H-H2O]+ 216.034670 144.2
[M+HCOO]- 278.035611 162.5
[M+CH3COO]- 292.051261 192.1
[M+Na-2H]- 254.012076 151.3
[M]+ 233.03686142 151.5
[M]- 233.03795858 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