CID 161359

Baeocystin(1-)

Structural Information

Molecular Formula
C11H15N2O4P
SMILES
CNCCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O
InChI
InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)
InChIKey
WTPBXXCVZZZXKR-UHFFFAOYSA-N
Compound name
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

904
Patents

270.07693 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08421 158.9
[M+Na]+ 293.06615 167.7
[M+NH4]+ 288.11075 164.0
[M+K]+ 309.04009 166.1
[M-H]- 269.06965 157.2
[M+Na-2H]- 291.05160 161.5
[M]+ 270.07638 159.1
[M]- 270.07748 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe