CID 3944845

2-(3-aminophenoxy)ethan-1-ol

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1=CC(=CC(=C1)OCCO)N
InChI
InChI=1S/C8H11NO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5,9H2
InChIKey
PRMZVGDZZPRZIF-UHFFFAOYSA-N
Compound name
2-(3-aminophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
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 130.2
[M+Na]+ 176.06820 137.7
[M-H]- 152.07170 132.3
[M+NH4]+ 171.11280 150.3
[M+K]+ 192.04214 135.7
[M+H-H2O]+ 136.07624 124.6
[M+HCOO]- 198.07718 154.5
[M+CH3COO]- 212.09283 175.0
[M+Na-2H]- 174.05365 137.0
[M]+ 153.07843 129.4
[M]- 153.07953 129.4
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