CID 14202260

38177-98-9

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=C(C=CC(=C1)N)C(=O)C
InChI
InChI=1S/C9H11NO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,10H2,1-2H3
InChIKey
RUHKTMSHDAAPRH-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

149.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.9
[M+Na]+ 172.07328 138.4
[M-H]- 148.07678 133.8
[M+NH4]+ 167.11788 151.1
[M+K]+ 188.04722 136.5
[M+H-H2O]+ 132.08132 124.6
[M+HCOO]- 194.08226 154.3
[M+CH3COO]- 208.09791 179.7
[M+Na-2H]- 170.05873 134.7
[M]+ 149.08351 128.9
[M]- 149.08461 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe