CID 12415107

4-formyl-1h-pyrrole-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 122.3
[M+Na]+ 143.02158 133.4
[M-H]- 119.02509 123.3
[M+NH4]+ 138.06619 142.2
[M+K]+ 158.99552 130.5
[M+H-H2O]+ 103.02962 109.9
[M+HCOO]- 165.03056 142.5
[M+CH3COO]- 179.04622 179.6
[M+Na-2H]- 141.00703 128.2
[M]+ 120.03182 116.5
[M]- 120.03291 116.5
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