CID 3027643

95482-86-3

Structural Information

Molecular Formula
C11H17NO4
SMILES
C1=CC(=C(C=C1C(CNCCCO)O)O)O
InChI
InChI=1S/C11H17NO4/c13-5-1-4-12-7-11(16)8-2-3-9(14)10(15)6-8/h2-3,6,11-16H,1,4-5,7H2
InChIKey
GNCYSXKWDZSSND-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(3-hydroxypropylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 150.7
[M+Na]+ 250.10497 155.8
[M-H]- 226.10847 148.8
[M+NH4]+ 245.14957 165.8
[M+K]+ 266.07891 152.6
[M+H-H2O]+ 210.11301 144.7
[M+HCOO]- 272.11395 169.3
[M+CH3COO]- 286.12960 184.0
[M+Na-2H]- 248.09042 153.4
[M]+ 227.11520 148.9
[M]- 227.11630 148.9
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

No patent data available for this compound.