CID 53954753

3-[(2s)-2-amino-3-hydroxypropyl]-1h-indol-5-ol

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1=CC2=C(C=C1O)C(=CN2)C[C@@H](CO)N
InChI
InChI=1S/C11H14N2O2/c12-8(6-14)3-7-5-13-11-2-1-9(15)4-10(7)11/h1-2,4-5,8,13-15H,3,6,12H2/t8-/m0/s1
InChIKey
JGWFAZHKHZOMON-QMMMGPOBSA-N
Compound name
3-[(2S)-2-amino-3-hydroxypropyl]-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.1
[M+Na]+ 229.09475 152.3
[M-H]- 205.09825 143.5
[M+NH4]+ 224.13935 162.3
[M+K]+ 245.06869 147.5
[M+H-H2O]+ 189.10279 138.2
[M+HCOO]- 251.10373 164.1
[M+CH3COO]- 265.11938 181.3
[M+Na-2H]- 227.08020 148.3
[M]+ 206.10498 142.0
[M]- 206.10608 142.0
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