CID 3076610

Alpha-((1h-imidazol-4-ylmethoxy)methyl)benzenemethanol

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1=CC=C(C=C1)C(COCC2=CN=CN2)O
InChI
InChI=1S/C12H14N2O2/c15-12(10-4-2-1-3-5-10)8-16-7-11-6-13-9-14-11/h1-6,9,12,15H,7-8H2,(H,13,14)
InChIKey
NLVRITBVDZRLNN-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-ylmethoxy)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

218.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.1
[M+Na]+ 241.09475 154.1
[M-H]- 217.09825 149.1
[M+NH4]+ 236.13935 163.6
[M+K]+ 257.06869 150.5
[M+H-H2O]+ 201.10279 139.8
[M+HCOO]- 263.10373 167.7
[M+CH3COO]- 277.11938 181.1
[M+Na-2H]- 239.08020 152.5
[M]+ 218.10498 146.7
[M]- 218.10608 146.7
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

patents stripe