CID 3076605

Alpha-(((1-methyl-1h-imidazol-4-yl)methoxy)methyl)benzenemethanol

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CN1C=C(N=C1)COCC(C2=CC=CC=C2)O
InChI
InChI=1S/C13H16N2O2/c1-15-7-12(14-10-15)8-17-9-13(16)11-5-3-2-4-6-11/h2-7,10,13,16H,8-9H2,1H3
InChIKey
ZOSKXQQOBZNRLL-UHFFFAOYSA-N
Compound name
2-[(1-methylimidazol-4-yl)methoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.4
[M+Na]+ 255.110408 159.4
[M-H]- 231.113914 155.1
[M+NH4]+ 250.155013 168.4
[M+K]+ 271.084348 156.4
[M+H-H2O]+ 215.118450 144.0
[M+HCOO]- 277.119391 173.2
[M+CH3COO]- 291.135041 187.7
[M+Na-2H]- 253.095856 156.0
[M]+ 232.12064142 153.6
[M]- 232.12173858 153.6
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