CID 2756449

70977-71-8

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CC(=C(C(=C1)N)O)C(=O)C
InChI
InChI=1S/C9H11NO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,10H2,1-2H3
InChIKey
UFIFDZMJARCOCP-UHFFFAOYSA-N
Compound name
1-(3-amino-2-hydroxy-5-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

165.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.3
[M+Na]+ 188.06820 142.3
[M-H]- 164.07170 136.2
[M+NH4]+ 183.11280 153.4
[M+K]+ 204.04214 140.1
[M+H-H2O]+ 148.07624 128.2
[M+HCOO]- 210.07718 156.4
[M+CH3COO]- 224.09283 180.5
[M+Na-2H]- 186.05365 136.9
[M]+ 165.07843 132.3
[M]- 165.07953 132.3
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