CID 1745

822-55-9

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1=C(NC=N1)CO
InChI
InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKey
QDYTUZCWBJRHKK-UHFFFAOYSA-N
Compound name
1H-imidazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

3437
Patents

98.04801 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 116.4
[M+Na]+ 121.03723 125.0
[M-H]- 97.040734 114.8
[M+NH4]+ 116.08183 137.4
[M+K]+ 137.01117 123.2
[M+H-H2O]+ 81.045270 110.3
[M+HCOO]- 143.04621 137.9
[M+CH3COO]- 157.06186 158.4
[M+Na-2H]- 119.02268 123.8
[M]+ 98.047461 113.8
[M]- 98.048559 113.8
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