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]+ 221.128466 148.8
[M+Na]+ 243.110408 157.9
[M-H]- 219.113914 149.8
[M+NH4]+ 238.155013 167.5
[M+K]+ 259.084348 153.8
[M+H-H2O]+ 203.118450 142.8
[M+HCOO]- 265.119391 169.9
[M+CH3COO]- 279.135041 187.9
[M+Na-2H]- 241.095856 152.2
[M]+ 220.12064142 149.3
[M]- 220.12173858 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.