CID 382136

Nsc669581

Structural Information

Molecular Formula
C10H13N2O3P
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(N)P(=O)(O)O
InChI
InChI=1S/C10H13N2O3P/c11-10(16(13,14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12H,5,11H2,(H2,13,14,15)
InChIKey
ZUEMQUDNGYLGGA-UHFFFAOYSA-N
Compound name
[1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

240.06638 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07366 153.5
[M+Na]+ 263.05560 160.5
[M-H]- 239.05910 151.5
[M+NH4]+ 258.10020 170.3
[M+K]+ 279.02954 156.7
[M+H-H2O]+ 223.06364 145.4
[M+HCOO]- 285.06458 177.3
[M+CH3COO]- 299.08023 185.8
[M+Na-2H]- 261.04105 155.8
[M]+ 240.06583 151.5
[M]- 240.06693 151.6
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