CID 382173

Nsc669632

Structural Information

Molecular Formula
C12H17N2O3P
SMILES
COP(=O)(C(CC1=CNC2=CC=CC=C21)N)OC
InChI
InChI=1S/C12H17N2O3P/c1-16-18(15,17-2)12(13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14H,7,13H2,1-2H3
InChIKey
JWIPRQFWGXJFFN-UHFFFAOYSA-N
Compound name
1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.0977 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10498 161.8
[M+Na]+ 291.08692 168.9
[M-H]- 267.09042 162.3
[M+NH4]+ 286.13152 179.0
[M+K]+ 307.06086 166.3
[M+H-H2O]+ 251.09496 152.9
[M+HCOO]- 313.09590 188.1
[M+CH3COO]- 327.11155 196.5
[M+Na-2H]- 289.07237 164.1
[M]+ 268.09715 164.4
[M]- 268.09825 164.4
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