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 139.1
[M+Na]+ 215.07909 149.0
[M-H]- 191.08259 139.0
[M+NH4]+ 210.12369 158.3
[M+K]+ 231.05303 143.9
[M+H-H2O]+ 175.08713 133.6
[M+HCOO]- 237.08807 160.4
[M+CH3COO]- 251.10372 178.6
[M+Na-2H]- 213.06454 144.4
[M]+ 192.08932 137.7
[M]- 192.09042 137.7
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.