CID 11480420

(2-methyl-1h-imidazol-4-yl)methanol

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=NC=C(N1)CO
InChI
InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)
InChIKey
MQRMTENGXFRETM-UHFFFAOYSA-N
Compound name
(2-methyl-1H-imidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

112.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 121.1
[M+Na]+ 135.05288 132.1
[M+NH4]+ 130.09748 128.6
[M+K]+ 151.02682 129.0
[M-H]- 111.05638 120.4
[M+Na-2H]- 133.03833 126.1
[M]+ 112.06311 122.1
[M]- 112.06421 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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