CID 41361

3-(2-aminopropyl)indole-4,7-diol

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1=CC(=C2C(=C1O)C(=CN2)CCCN)O
InChI
InChI=1S/C11H14N2O2/c12-5-1-2-7-6-13-11-9(15)4-3-8(14)10(7)11/h3-4,6,13-15H,1-2,5,12H2
InChIKey
KWJHDFUOWZGKHO-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)-1H-indole-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 143.6
[M+Na]+ 229.09475 153.1
[M-H]- 205.09825 143.4
[M+NH4]+ 224.13935 162.3
[M+K]+ 245.06869 147.8
[M+H-H2O]+ 189.10279 138.0
[M+HCOO]- 251.10373 164.6
[M+CH3COO]- 265.11938 181.6
[M+Na-2H]- 227.08020 148.4
[M]+ 206.10498 142.6
[M]- 206.10608 142.6
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.