CID 233283

2-methoxy-5-acetylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.1
[M+Na]+ 188.06820 141.5
[M-H]- 164.07170 137.0
[M+NH4]+ 183.11280 153.6
[M+K]+ 204.04214 140.2
[M+H-H2O]+ 148.07624 127.5
[M+HCOO]- 210.07718 157.8
[M+CH3COO]- 224.09283 181.8
[M+Na-2H]- 186.05365 137.9
[M]+ 165.07843 133.6
[M]- 165.07953 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