CID 13118493

1-amino-3-(1h-indol-4-yloxy)propan-2-ol

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1=CC2=C(C=CN2)C(=C1)OCC(CN)O
InChI
InChI=1S/C11H14N2O2/c12-6-8(14)7-15-11-3-1-2-10-9(11)4-5-13-10/h1-5,8,13-14H,6-7,12H2
InChIKey
CKNUDCBHUGWSEL-UHFFFAOYSA-N
Compound name
1-amino-3-(1H-indol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

206.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 143.5
[M+Na]+ 229.094748 151.1
[M-H]- 205.098254 143.9
[M+NH4]+ 224.139353 162.1
[M+K]+ 245.068688 147.2
[M+H-H2O]+ 189.102790 137.1
[M+HCOO]- 251.103731 165.0
[M+CH3COO]- 265.119381 182.4
[M+Na-2H]- 227.080196 148.9
[M]+ 206.10498142 142.8
[M]- 206.10607858 142.8
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