CID 2757644

2-(3-chloro-4-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12ClNO
SMILES
COC1=C(C=C(C=C1)CCN)Cl
InChI
InChI=1S/C9H12ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKey
RRYLJVQKSZWVQA-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

185.06075 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 137.6
[M+Na]+ 208.04997 146.8
[M-H]- 184.05347 141.0
[M+NH4]+ 203.09457 158.3
[M+K]+ 224.02391 143.0
[M+H-H2O]+ 168.05801 132.8
[M+HCOO]- 230.05895 158.2
[M+CH3COO]- 244.07460 183.6
[M+Na-2H]- 206.03542 143.1
[M]+ 185.06020 139.9
[M]- 185.06130 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe