CID 3005066

Nsc670009

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1[C@@H]2[C@@H](C(CO2)O)O[C@H]1NC3=CC=CC=N3
InChI
InChI=1S/C11H14N2O3/c14-7-6-15-8-5-10(16-11(7)8)13-9-3-1-2-4-12-9/h1-4,7-8,10-11,14H,5-6H2,(H,12,13)/t7?,8-,10-,11-/m1/s1
InChIKey
BOLBUQFPGMKCEV-QGPDOHACSA-N
Compound name
(3aR,5R,6aR)-5-(pyridin-2-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 145.3
[M+Na]+ 245.08967 151.9
[M-H]- 221.09317 151.5
[M+NH4]+ 240.13427 163.0
[M+K]+ 261.06361 151.4
[M+H-H2O]+ 205.09771 139.4
[M+HCOO]- 267.09865 164.7
[M+CH3COO]- 281.11430 157.9
[M+Na-2H]- 243.07512 150.0
[M]+ 222.09990 143.9
[M]- 222.10100 143.9
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

No patent data available for this compound.