CID 9795063

Norbaeocystin(1-)

Structural Information

Molecular Formula
C10H13N2O4P
SMILES
C1=CC2=C(C(=C1)OP(=O)(O)O)C(=CN2)CCN
InChI
InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)
InChIKey
IKQGYCWFBVEAKF-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-4-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

786
Patents

256.06128 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06856 155.4
[M+Na]+ 279.05050 163.4
[M-H]- 255.05400 153.7
[M+NH4]+ 274.09510 171.8
[M+K]+ 295.02444 159.8
[M+H-H2O]+ 239.05854 147.3
[M+HCOO]- 301.05948 180.4
[M+CH3COO]- 315.07513 188.5
[M+Na-2H]- 277.03595 158.6
[M]+ 256.06073 155.9
[M]- 256.06183 155.9
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