CID 505904

Schembl13206354

Structural Information

Molecular Formula
C10H17N3O6
SMILES
C1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N=C(N)N
InChI
InChI=1S/C10H17N3O6/c11-10(12)13-4-1-6(8(16)5(15)3-14)19-7(2-4)9(17)18/h2,4-6,8,14-16H,1,3H2,(H,17,18)(H4,11,12,13)/t4-,5-,6-,8-/m1/s1
InChIKey
UDUVZAQULKWAOH-UAKXSSHOSA-N
Compound name
(2R,4R)-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.11172 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11900 161.9
[M+Na]+ 298.10094 163.8
[M-H]- 274.10444 160.6
[M+NH4]+ 293.14554 172.4
[M+K]+ 314.07488 164.4
[M+H-H2O]+ 258.10898 154.6
[M+HCOO]- 320.10992 177.0
[M+CH3COO]- 334.12557 200.5
[M+Na-2H]- 296.08639 159.6
[M]+ 275.11117 155.4
[M]- 275.11227 155.4
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

No patent data available for this compound.