CID 41360

Indole-4,7-diol, 3-(2-aminoethyl)-

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1=CC(=C2C(=C1O)C(=CN2)CCN)O
InChI
InChI=1S/C10H12N2O2/c11-4-3-6-5-12-10-8(14)2-1-7(13)9(6)10/h1-2,5,12-14H,3-4,11H2
InChIKey
CDOZGDYHEGFFLX-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-indole-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.4
[M+Na]+ 215.07909 150.7
[M+NH4]+ 210.12369 146.8
[M+K]+ 231.05303 147.4
[M-H]- 191.08259 140.0
[M+Na-2H]- 213.06454 143.7
[M]+ 192.08932 140.8
[M]- 192.09042 140.8
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

No patent data available for this compound.