CID 15579583

1859-75-2

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(=O)C1=CC=CC=C1NC
InChI
InChI=1S/C9H11NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-6,10H,1-2H3
InChIKey
CUHJQPWOSWMIAU-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

149.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.8
[M+Na]+ 172.07328 137.4
[M-H]- 148.07678 133.8
[M+NH4]+ 167.11788 151.0
[M+K]+ 188.04722 135.8
[M+H-H2O]+ 132.08132 124.2
[M+HCOO]- 194.08226 154.9
[M+CH3COO]- 208.09791 179.2
[M+Na-2H]- 170.05873 136.5
[M]+ 149.08351 129.5
[M]- 149.08461 129.5
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