CID 409944

5467-70-9

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=C(C=C1)C(=O)CN
InChI
InChI=1S/C9H11NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6,10H2,1H3
InChIKey
FUFAHIJREMQVPV-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 131.0
[M+Na]+ 172.07328 143.0
[M+NH4]+ 167.11788 139.6
[M+K]+ 188.04722 137.0
[M-H]- 148.07678 133.6
[M+Na-2H]- 170.05873 137.9
[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