CID 52311

73728-58-2

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1=CC=C(C=C1)C(CON)O
InChI
InChI=1S/C8H11NO2/c9-11-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKey
ZLBWPYIKHLGYQC-UHFFFAOYSA-N
Compound name
2-aminooxy-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

153.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.1
[M+Na]+ 176.06820 137.3
[M-H]- 152.07170 132.9
[M+NH4]+ 171.11280 150.8
[M+K]+ 192.04214 135.8
[M+H-H2O]+ 136.07624 125.3
[M+HCOO]- 198.07718 154.4
[M+CH3COO]- 212.09283 174.7
[M+Na-2H]- 174.05365 137.3
[M]+ 153.07843 129.2
[M]- 153.07953 129.2
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