CID 2797004

3904-16-3

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C9H11NO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,10H2,1H3
InChIKey
FSTYOUCNSTZVDF-UHFFFAOYSA-N
Compound name
1-amino-1-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 131.6
[M+Na]+ 172.07328 143.0
[M+NH4]+ 167.11788 140.2
[M+K]+ 188.04722 137.5
[M-H]- 148.07678 134.0
[M+Na-2H]- 170.05873 138.4
[M]+ 149.08351 133.7
[M]- 149.08461 133.7
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