CID 3713

Indole-3-propanol phosphate

Structural Information

Molecular Formula
C11H14NO4P
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCOP(=O)(O)O
InChI
InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
InChIKey
NKEZSFZOUIIZFL-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)propyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

32
Patents

255.06604 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07332 157.4
[M+Na]+ 278.05526 165.1
[M-H]- 254.05876 155.7
[M+NH4]+ 273.09986 174.2
[M+K]+ 294.02920 161.4
[M+H-H2O]+ 238.06330 149.2
[M+HCOO]- 300.06424 181.7
[M+CH3COO]- 314.07989 185.5
[M+Na-2H]- 276.04071 161.0
[M]+ 255.06549 159.6
[M]- 255.06659 159.6
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