CID 3087980

Benzenemethanol, 2-hydroxy-5-(1h-imidazol-4-ylmethyl)-

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1=CC(=C(C=C1CC2=CN=CN2)CO)O
InChI
InChI=1S/C11H12N2O2/c14-6-9-3-8(1-2-11(9)15)4-10-5-12-7-13-10/h1-3,5,7,14-15H,4,6H2,(H,12,13)
InChIKey
KTSRARHGUNNUMM-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-4-(1H-imidazol-5-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

204.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.9
[M+Na]+ 227.07909 152.2
[M-H]- 203.08259 144.5
[M+NH4]+ 222.12369 160.1
[M+K]+ 243.05303 147.3
[M+H-H2O]+ 187.08713 136.6
[M+HCOO]- 249.08807 163.4
[M+CH3COO]- 263.10372 177.1
[M+Na-2H]- 225.06454 148.2
[M]+ 204.08932 141.8
[M]- 204.09042 141.8
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