CID 151518

4-methoxy-2,2'-bipyrrole-5-carboxaldehyde

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC1=C(NC(=C1)C2=CC=CN2)C=O
InChI
InChI=1S/C10H10N2O2/c1-14-10-5-8(12-9(10)6-13)7-3-2-4-11-7/h2-6,11-12H,1H3
InChIKey
MQCYELLGZFKAFD-UHFFFAOYSA-N
Compound name
3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

41
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 138.2
[M+Na]+ 213.063448 148.4
[M-H]- 189.066954 140.9
[M+NH4]+ 208.108053 157.5
[M+K]+ 229.037388 144.5
[M+H-H2O]+ 173.071490 131.3
[M+HCOO]- 235.072431 161.9
[M+CH3COO]- 249.088081 175.8
[M+Na-2H]- 211.048896 141.9
[M]+ 190.07368142 139.1
[M]- 190.07477858 139.1
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

patents stripe