CID 71437684

Ascorbalamic acid

Structural Information

Molecular Formula
C9H13NO8
SMILES
C1C(NC(=O)C1(C2(C(C(CO2)O)O)O)O)C(=O)O
InChI
InChI=1S/C9H13NO8/c11-4-2-18-9(17,5(4)12)8(16)1-3(6(13)14)10-7(8)15/h3-5,11-12,16-17H,1-2H2,(H,10,15)(H,13,14)
InChIKey
FLVJBXHFHKVHJN-UHFFFAOYSA-N
Compound name
4-hydroxy-5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.06412 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07140 151.2
[M+Na]+ 286.05334 157.7
[M-H]- 262.05684 150.0
[M+NH4]+ 281.09794 168.1
[M+K]+ 302.02728 156.4
[M+H-H2O]+ 246.06138 149.2
[M+HCOO]- 308.06232 162.3
[M+CH3COO]- 322.07797 179.4
[M+Na-2H]- 284.03879 152.0
[M]+ 263.06357 146.9
[M]- 263.06467 146.9
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

patents stripe