CID 382177

Nsc669636

Structural Information

Molecular Formula
C11H15N2O2P
SMILES
CP(=O)(C(CC1=CNC2=CC=CC=C21)N)O
InChI
InChI=1S/C11H15N2O2P/c1-16(14,15)11(12)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6,12H2,1H3,(H,14,15)
InChIKey
STUCCWKJAARECW-UHFFFAOYSA-N
Compound name
[1-amino-2-(1H-indol-3-yl)ethyl]-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08711 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09439 155.3
[M+Na]+ 261.07633 162.6
[M-H]- 237.07983 154.6
[M+NH4]+ 256.12093 173.0
[M+K]+ 277.05027 158.7
[M+H-H2O]+ 221.08437 147.0
[M+HCOO]- 283.08531 180.2
[M+CH3COO]- 297.10096 188.9
[M+Na-2H]- 259.06178 157.3
[M]+ 238.08656 154.2
[M]- 238.08766 154.2
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.