CID 11607936

1-[4-(methylamino)phenyl]ethan-1-one

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

311
Patents

149.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.8
[M+Na]+ 172.073278 137.4
[M-H]- 148.076784 133.8
[M+NH4]+ 167.117883 151.0
[M+K]+ 188.047218 135.8
[M+H-H2O]+ 132.081320 124.2
[M+HCOO]- 194.082261 154.9
[M+CH3COO]- 208.097911 179.2
[M+Na-2H]- 170.058726 136.5
[M]+ 149.08351142 129.5
[M]- 149.08460858 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