CID 30359

Beta-amino-5-methoxy-1h-indole-3-propanol

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=CC2=C(C=C1)NC=C2CC(CO)N
InChI
InChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(5-10)8(6-14-12)4-9(13)7-15/h2-3,5-6,9,14-15H,4,7,13H2,1H3
InChIKey
ZTSHEMWPFPNRGQ-UHFFFAOYSA-N
Compound name
2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

220.12119 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 148.5
[M+Na]+ 243.11041 156.6
[M-H]- 219.11391 149.1
[M+NH4]+ 238.15501 166.9
[M+K]+ 259.08435 152.5
[M+H-H2O]+ 203.11845 142.2
[M+HCOO]- 265.11939 169.7
[M+CH3COO]- 279.13504 186.6
[M+Na-2H]- 241.09586 152.6
[M]+ 220.12064 148.5
[M]- 220.12174 148.5
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

patents stripe