CID 14202257

1-(2-amino-6-methylphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

149.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.9
[M+Na]+ 172.073278 138.4
[M-H]- 148.076784 133.8
[M+NH4]+ 167.117883 151.1
[M+K]+ 188.047218 136.5
[M+H-H2O]+ 132.081320 124.6
[M+HCOO]- 194.082261 154.3
[M+CH3COO]- 208.097911 179.7
[M+Na-2H]- 170.058726 134.7
[M]+ 149.08351142 128.9
[M]- 149.08460858 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