CID 10678614

1-(2-amino-6-methoxyphenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(=O)C1=C(C=CC=C1OC)N
InChI
InChI=1S/C9H11NO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,10H2,1-2H3
InChIKey
NVVPBUKFNJIOME-UHFFFAOYSA-N
Compound name
1-(2-amino-6-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

165.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.1
[M+Na]+ 188.068198 141.5
[M-H]- 164.071704 137.0
[M+NH4]+ 183.112803 153.6
[M+K]+ 204.042138 140.2
[M+H-H2O]+ 148.076240 127.5
[M+HCOO]- 210.077181 157.8
[M+CH3COO]- 224.092831 181.8
[M+Na-2H]- 186.053646 137.9
[M]+ 165.07843142 133.6
[M]- 165.07952858 133.6
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