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]+ 179.08151 135.6
[M+Na]+ 201.06345 145.0
[M-H]- 177.06695 135.7
[M+NH4]+ 196.10805 154.0
[M+K]+ 217.03739 140.2
[M+H-H2O]+ 161.07149 129.3
[M+HCOO]- 223.07243 156.4
[M+CH3COO]- 237.08808 148.2
[M+Na-2H]- 199.04890 138.9
[M]+ 178.07368 133.2
[M]- 178.07478 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.