CID 4329924

1h-pyrrole-2-carboxaldehyde, 2-formylhydrazone

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1=CNC(=C1)C=NNC=O
InChI
InChI=1S/C6H7N3O/c10-5-9-8-4-6-2-1-3-7-6/h1-5,7H,(H,9,10)
InChIKey
HREKFVGLOYIBLS-UHFFFAOYSA-N
Compound name
N-(1H-pyrrol-2-ylmethylideneamino)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

137.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 124.7
[M+Na]+ 160.04813 132.0
[M-H]- 136.05163 127.0
[M+NH4]+ 155.09273 146.0
[M+K]+ 176.02207 130.3
[M+H-H2O]+ 120.05617 117.7
[M+HCOO]- 182.05711 152.3
[M+CH3COO]- 196.07276 174.2
[M+Na-2H]- 158.03358 132.9
[M]+ 137.05836 123.1
[M]- 137.05946 123.1
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