CID 61552840

1-(4-chlorophenyl)-2-methoxyethan-1-amine

Structural Information

Molecular Formula
C9H12ClNO
SMILES
COCC(C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C9H12ClNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3
InChIKey
WPXVXJBFCKQSST-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.06075 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 138.1
[M+Na]+ 208.04997 146.1
[M-H]- 184.05347 141.3
[M+NH4]+ 203.09457 158.5
[M+K]+ 224.02391 142.7
[M+H-H2O]+ 168.05801 133.2
[M+HCOO]- 230.05895 157.8
[M+CH3COO]- 244.07460 183.3
[M+Na-2H]- 206.03542 143.1
[M]+ 185.06020 139.5
[M]- 185.06130 139.5
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