CID 11607936

17687-47-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

149.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.9
[M+Na]+ 172.07328 143.2
[M+NH4]+ 167.11788 139.7
[M+K]+ 188.04722 136.9
[M-H]- 148.07678 133.7
[M+Na-2H]- 170.05873 138.2
[M]+ 149.08351 133.3
[M]- 149.08461 133.3
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