CID 451982

Dd-pyrrolo(2,3-b)pyridine

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC3=C2N=CC=C3
InChI
InChI=1S/C12H14N2O2/c15-8-10-3-4-11(16-10)14-7-5-9-2-1-6-13-12(9)14/h1-2,5-7,10-11,15H,3-4,8H2/t10-,11+/m0/s1
InChIKey
FFDDZAYIVBLJBK-WDEREUQCSA-N
Compound name
[(2S,5R)-5-pyrrolo[2,3-b]pyridin-1-yloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 145.5
[M+Na]+ 241.094748 154.6
[M-H]- 217.098254 150.4
[M+NH4]+ 236.139353 164.0
[M+K]+ 257.068688 152.2
[M+H-H2O]+ 201.102790 138.5
[M+HCOO]- 263.103731 166.0
[M+CH3COO]- 277.119381 158.6
[M+Na-2H]- 239.080196 149.8
[M]+ 218.10498142 146.4
[M]- 218.10607858 146.4
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

patents stripe