CID 58653

101651-83-6

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(CC1=CNC2=CC(=C(C=C21)OC)O)N
InChI
InChI=1S/C12H16N2O2/c1-7(13)3-8-6-14-10-5-11(15)12(16-2)4-9(8)10/h4-7,14-15H,3,13H2,1-2H3
InChIKey
OBTBTDJYXIDUAJ-UHFFFAOYSA-N
Compound name
3-(2-aminopropyl)-5-methoxy-1H-indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 148.8
[M+Na]+ 243.11041 157.9
[M-H]- 219.11391 149.8
[M+NH4]+ 238.15501 167.5
[M+K]+ 259.08435 153.8
[M+H-H2O]+ 203.11845 142.8
[M+HCOO]- 265.11939 169.9
[M+CH3COO]- 279.13504 187.9
[M+Na-2H]- 241.09586 152.2
[M]+ 220.12064 149.3
[M]- 220.12174 149.3
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.