CID 74168

1615-14-1

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1=CN(C=N1)CCO
InChI
InChI=1S/C5H8N2O/c8-4-3-7-2-1-6-5-7/h1-2,5,8H,3-4H2
InChIKey
AMSDWLOANMAILF-UHFFFAOYSA-N
Compound name
2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4305
Patents

112.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 120.1
[M+Na]+ 135.052878 128.7
[M-H]- 111.056384 119.8
[M+NH4]+ 130.097483 141.2
[M+K]+ 151.026818 127.6
[M+H-H2O]+ 95.060920 113.6
[M+HCOO]- 157.061861 142.8
[M+CH3COO]- 171.077511 164.1
[M+Na-2H]- 133.038326 127.5
[M]+ 112.06311142 119.8
[M]- 112.06420858 119.8
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