CID 12572403

5-formyl-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C6H4N2O
SMILES
C1=C(NC=C1C#N)C=O
InChI
InChI=1S/C6H4N2O/c7-2-5-1-6(4-9)8-3-5/h1,3-4,8H
InChIKey
NWFVPMMFARCLEP-UHFFFAOYSA-N
Compound name
5-formyl-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

120.032364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03964 124.0
[M+Na]+ 143.02158 134.9
[M+NH4]+ 138.06619 128.4
[M+K]+ 158.99552 128.0
[M-H]- 119.02509 117.0
[M+Na-2H]- 141.00703 127.0
[M]+ 120.03182 122.5
[M]- 120.03291 122.5
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