CID 14997033

1-(3-aminophenyl)ethane-1,2-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

153.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.1
[M+Na]+ 176.06820 141.7
[M+NH4]+ 171.11280 138.9
[M+K]+ 192.04214 137.2
[M-H]- 152.07170 132.4
[M+Na-2H]- 174.05365 136.6
[M]+ 153.07843 132.7
[M]- 153.07953 132.7
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