CID 90658150

4-hydroxy-2,2'-bipyrrole-5-methanol

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1=CNC(=C1)C2=CC(=C(N2)CO)O
InChI
InChI=1S/C9H10N2O2/c12-5-8-9(13)4-7(11-8)6-2-1-3-10-6/h1-4,10-13H,5H2
InChIKey
RGTPSNSYCJTFLL-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 135.6
[M+Na]+ 201.063448 145.0
[M-H]- 177.066954 135.7
[M+NH4]+ 196.108053 154.0
[M+K]+ 217.037388 140.2
[M+H-H2O]+ 161.071490 129.3
[M+HCOO]- 223.072431 156.4
[M+CH3COO]- 237.088081 148.2
[M+Na-2H]- 199.048896 138.9
[M]+ 178.07368142 133.2
[M]- 178.07477858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.