CID 14779021

Oxypinnatanine

Structural Information

Molecular Formula
C10H16N2O6
SMILES
C1C=C(C(O1)NC(=O)C(CC(C(=O)O)N)O)CO
InChI
InChI=1S/C10H16N2O6/c11-6(10(16)17)3-7(14)8(15)12-9-5(4-13)1-2-18-9/h1,6-7,9,13-14H,2-4,11H2,(H,12,15)(H,16,17)
InChIKey
FKPGGSOHTXQOGP-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.10083 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10811 158.5
[M+Na]+ 283.09005 161.0
[M-H]- 259.09355 157.7
[M+NH4]+ 278.13465 171.8
[M+K]+ 299.06399 161.4
[M+H-H2O]+ 243.09809 152.0
[M+HCOO]- 305.09903 175.4
[M+CH3COO]- 319.11468 192.9
[M+Na-2H]- 281.07550 156.7
[M]+ 260.10028 155.2
[M]- 260.10138 155.2
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