CID 382176

Nsc669635

Structural Information

Molecular Formula
C11H15N2O3P
SMILES
COP(=O)(C(CC1=CNC2=CC=CC=C21)N)O
InChI
InChI=1S/C11H15N2O3P/c1-16-17(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
UIXPRYNNEGLCHX-UHFFFAOYSA-N
Compound name
[1-amino-2-(1H-indol-3-yl)ethyl]-methoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

254.08203 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08931 157.6
[M+Na]+ 277.07125 164.7
[M-H]- 253.07475 156.9
[M+NH4]+ 272.11585 174.6
[M+K]+ 293.04519 161.5
[M+H-H2O]+ 237.07929 149.1
[M+HCOO]- 299.08023 182.7
[M+CH3COO]- 313.09588 191.1
[M+Na-2H]- 275.05670 159.9
[M]+ 254.08148 157.9
[M]- 254.08258 157.9
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