CID 11228989

35364-15-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

165.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.9
[M+Na]+ 188.06820 141.9
[M-H]- 164.07170 136.3
[M+NH4]+ 183.11280 153.6
[M+K]+ 204.04214 139.6
[M+H-H2O]+ 148.07624 128.5
[M+HCOO]- 210.07718 157.0
[M+CH3COO]- 224.09283 179.3
[M+Na-2H]- 186.05365 138.1
[M]+ 165.07843 132.4
[M]- 165.07953 132.4
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