CID 24955

1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1=CN=C(N1)C=O
InChI
InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)
InChIKey
XYHKNCXZYYTLRG-UHFFFAOYSA-N
Compound name
1H-imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

47235
Patents

96.032364 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 114.5
[M+Na]+ 119.02158 123.8
[M-H]- 95.025088 114.3
[M+NH4]+ 114.06619 136.2
[M+K]+ 134.99552 122.4
[M+H-H2O]+ 79.029624 108.2
[M+HCOO]- 141.03056 137.7
[M+CH3COO]- 155.04622 160.2
[M+Na-2H]- 117.00703 122.4
[M]+ 96.031815 113.1
[M]- 96.032913 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe