CID 54594037

1-(4-chlorophenyl)-1-methoxypropan-2-amine hydrochloride

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CC(C(C1=CC=C(C=C1)Cl)OC)N
InChI
InChI=1S/C10H14ClNO/c1-7(12)10(13-2)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
InChIKey
UDYBNDPRKUCJKP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-methoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.07639 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.083666 142.9
[M+Na]+ 222.065608 150.3
[M-H]- 198.069114 146.0
[M+NH4]+ 217.110213 162.6
[M+K]+ 238.039548 147.1
[M+H-H2O]+ 182.073650 137.9
[M+HCOO]- 244.074591 161.3
[M+CH3COO]- 258.090241 187.2
[M+Na-2H]- 220.051056 146.1
[M]+ 199.07584142 144.0
[M]- 199.07693858 144.0
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