CID 71768113

4-o-(beta-l-arabinofuranosyl)-(2s,4s)-4-hydroxyproline

Structural Information

Molecular Formula
C10H17NO7
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C10H17NO7/c12-3-6-7(13)8(14)10(18-6)17-4-1-5(9(15)16)11-2-4/h4-8,10-14H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,10-/m0/s1
InChIKey
ABCIYWCIWZHVKW-BFZMHJHUSA-N
Compound name
(2S,4S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1005 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10778 156.2
[M+Na]+ 286.08972 160.5
[M-H]- 262.09322 155.5
[M+NH4]+ 281.13432 169.8
[M+K]+ 302.06366 159.3
[M+H-H2O]+ 246.09776 151.2
[M+HCOO]- 308.09870 168.1
[M+CH3COO]- 322.11435 183.1
[M+Na-2H]- 284.07517 153.1
[M]+ 263.09995 151.9
[M]- 263.10105 151.9
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