CID 141894102

1-imidazol-1-ylethenol

Structural Information

Molecular Formula
C5H6N2O
SMILES
C=C(N1C=CN=C1)O
InChI
InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4,8H,1H2
InChIKey
YUFVOKKDUKCPKF-UHFFFAOYSA-N
Compound name
1-imidazol-1-ylethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.04801 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.055286 119.6
[M+Na]+ 133.037228 128.2
[M-H]- 109.040734 119.4
[M+NH4]+ 128.081833 140.7
[M+K]+ 149.011168 127.0
[M+H-H2O]+ 93.045270 113.2
[M+HCOO]- 155.046211 141.5
[M+CH3COO]- 169.061861 164.0
[M+Na-2H]- 131.022676 125.8
[M]+ 110.04746142 117.9
[M]- 110.04855858 117.9
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.