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

2
Patents

218.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 145.5
[M+Na]+ 241.09475 154.6
[M-H]- 217.09825 150.4
[M+NH4]+ 236.13935 164.0
[M+K]+ 257.06869 152.2
[M+H-H2O]+ 201.10279 138.5
[M+HCOO]- 263.10373 166.0
[M+CH3COO]- 277.11938 158.6
[M+Na-2H]- 239.08020 149.8
[M]+ 218.10498 146.4
[M]- 218.10608 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