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

10
Patents

202.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 142.0
[M+Na]+ 225.06345 152.1
[M-H]- 201.06695 144.6
[M+NH4]+ 220.10805 160.7
[M+K]+ 241.03739 147.3
[M+H-H2O]+ 185.07149 135.0
[M+HCOO]- 247.07243 165.6
[M+CH3COO]- 261.08808 178.0
[M+Na-2H]- 223.04890 145.1
[M]+ 202.07368 142.6
[M]- 202.07478 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