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

32
Patents

153.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.5
[M+Na]+ 176.068198 138.2
[M-H]- 152.071704 132.2
[M+NH4]+ 171.112803 150.7
[M+K]+ 192.042138 135.8
[M+H-H2O]+ 136.076240 126.2
[M+HCOO]- 198.077181 153.2
[M+CH3COO]- 212.092831 173.4
[M+Na-2H]- 174.053646 136.4
[M]+ 153.07843142 128.1
[M]- 153.07952858 128.1
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