CID 22601035

361382-03-8

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(C(=O)C1=CC(=CC=C1)O)N
InChI
InChI=1S/C9H11NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,11H,10H2,1H3
InChIKey
OIHAQYRJHHWTGP-UHFFFAOYSA-N
Compound name
2-amino-1-(3-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.6
[M+Na]+ 188.06820 141.4
[M-H]- 164.07170 136.7
[M+NH4]+ 183.11280 154.0
[M+K]+ 204.04214 139.6
[M+H-H2O]+ 148.07624 129.1
[M+HCOO]- 210.07718 156.7
[M+CH3COO]- 224.09283 179.0
[M+Na-2H]- 186.05365 138.3
[M]+ 165.07843 132.1
[M]- 165.07953 132.1
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