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
8
Annotation Hits

10097
References

306872
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.