CID 573612

(1-methyl-1h-imidazol-2-yl)methanol

Structural Information

Molecular Formula
C5H8N2O
SMILES
CN1C=CN=C1CO
InChI
InChI=1S/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3
InChIKey
CDQDMLWGTVLQEE-UHFFFAOYSA-N
Compound name
(1-methylimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

787
Patents

112.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 120.6
[M+Na]+ 135.05288 132.2
[M+NH4]+ 130.09748 128.5
[M+K]+ 151.02682 128.8
[M-H]- 111.05638 120.4
[M+Na-2H]- 133.03833 126.2
[M]+ 112.06311 122.0
[M]- 112.06421 122.0
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