CID 3087978

116796-00-0

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1=CC(=C(C(=C1)CO)O)CC2=CN=CN2
InChI
InChI=1S/C12H14N2O2/c1-8-2-9(4-11-5-13-7-14-11)12(16)10(3-8)6-15/h2-3,5,7,15-16H,4,6H2,1H3,(H,13,14)
InChIKey
CEPBGDOKCKFPQK-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.7
[M+Na]+ 241.09475 162.1
[M+NH4]+ 236.13935 156.5
[M+K]+ 257.06869 158.2
[M-H]- 217.09825 150.8
[M+Na-2H]- 239.08020 155.6
[M]+ 218.10498 151.6
[M]- 218.10608 151.6
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