CID 795

Imidazole

Structural Information

Molecular Formula
C3H4N2
SMILES
C1=CN=CN1
InChI
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChIKey
RAXXELZNTBOGNW-UHFFFAOYSA-N
Compound name
1H-imidazole
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

10093
References

298790
Patents

68.037445 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 69.044721 108.1
[M+Na]+ 91.026663 116.6
[M-H]- 67.030169 107.7
[M+NH4]+ 86.071268 130.7
[M+K]+ 107.00060 115.7
[M+H-H2O]+ 51.034705 101.8
[M+HCOO]- 113.03565 131.2
[M+CH3COO]- 127.05130 155.1
[M+Na-2H]- 89.012111 117.4
[M]+ 68.036896 105.3
[M]- 68.037994 105.3
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