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

204
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 131.4
[M+Na]+ 172.073278 137.7
[M-H]- 148.076784 134.6
[M+NH4]+ 167.117883 151.9
[M+K]+ 188.047218 136.3
[M+H-H2O]+ 132.081320 125.6
[M+HCOO]- 194.082261 154.8
[M+CH3COO]- 208.097911 178.3
[M+Na-2H]- 170.058726 136.4
[M]+ 149.08351142 129.0
[M]- 149.08460858 129.0
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