CID 76428

1h-imidazole-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

16
References

4456
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 116.0
[M+Na]+ 119.02158 127.4
[M+NH4]+ 114.06619 123.8
[M+K]+ 134.99552 124.0
[M-H]- 95.025088 115.5
[M+Na-2H]- 117.00703 122.0
[M]+ 96.031815 117.2
[M]- 96.032913 117.2
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