CID 55254217

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

Structural Information

Molecular Formula
C9H12ClNO
SMILES
COC1=CC=CC(=C1Cl)CCN
InChI
InChI=1S/C9H12ClNO/c1-12-8-4-2-3-7(5-6-11)9(8)10/h2-4H,5-6,11H2,1H3
InChIKey
XWIMGFWLODVBLU-UHFFFAOYSA-N
Compound name
2-(2-chloro-3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

185.06075 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 137.6
[M+Na]+ 208.049968 146.8
[M-H]- 184.053474 141.0
[M+NH4]+ 203.094573 158.3
[M+K]+ 224.023908 143.0
[M+H-H2O]+ 168.058010 132.8
[M+HCOO]- 230.058951 158.2
[M+CH3COO]- 244.074601 183.6
[M+Na-2H]- 206.035416 143.1
[M]+ 185.06020142 139.9
[M]- 185.06129858 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

No literature data available for this compound.

Patent stripe

patents stripe