CID 5274351

D-arabinitol, 1,4-anhydro-1-c-(5-bromo-3-pyridinyl)-, (1s)-

Structural Information

Molecular Formula
C10H12BrNO4
SMILES
C1=C(C=NC=C1Br)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H12BrNO4/c11-6-1-5(2-12-3-6)10-9(15)8(14)7(4-13)16-10/h1-3,7-10,13-15H,4H2/t7-,8-,9+,10+/m1/s1
InChIKey
DISFSDFLJKPBAR-IMSYWVGJSA-N
Compound name
(2S,3S,4S,5R)-2-(5-bromopyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.99496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00224 156.8
[M+Na]+ 311.98418 167.6
[M-H]- 287.98768 161.9
[M+NH4]+ 307.02878 173.6
[M+K]+ 327.95812 157.1
[M+H-H2O]+ 271.99222 156.5
[M+HCOO]- 333.99316 172.1
[M+CH3COO]- 348.00881 189.0
[M+Na-2H]- 309.96963 159.9
[M]+ 288.99441 173.8
[M]- 288.99551 173.8
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.