CID 4175118

5,5'-methylenebis(1h-pyrrole-2-carbaldehyde)

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=C(NC(=C1)C=O)CC2=CC=C(N2)C=O
InChI
InChI=1S/C11H10N2O2/c14-6-10-3-1-8(12-10)5-9-2-4-11(7-15)13-9/h1-4,6-7,12-13H,5H2
InChIKey
JNHUASRLPMYMFD-UHFFFAOYSA-N
Compound name
5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.0
[M+Na]+ 225.063448 152.1
[M-H]- 201.066954 144.6
[M+NH4]+ 220.108053 160.7
[M+K]+ 241.037388 147.3
[M+H-H2O]+ 185.071490 135.0
[M+HCOO]- 247.072431 165.6
[M+CH3COO]- 261.088081 178.0
[M+Na-2H]- 223.048896 145.1
[M]+ 202.07368142 142.6
[M]- 202.07477858 142.6
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