CID 15035511

115664-37-4

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=C(C=CC=C1CO)CC2=CN=CN2
InChI
InChI=1S/C12H14N2O/c1-9-10(3-2-4-11(9)7-15)5-12-6-13-8-14-12/h2-4,6,8,15H,5,7H2,1H3,(H,13,14)
InChIKey
RDAWYMFVGHLOAF-UHFFFAOYSA-N
Compound name
[3-(1H-imidazol-5-ylmethyl)-2-methylphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 144.9
[M+Na]+ 225.099828 153.4
[M-H]- 201.103334 146.7
[M+NH4]+ 220.144433 162.0
[M+K]+ 241.073768 148.6
[M+H-H2O]+ 185.107870 137.4
[M+HCOO]- 247.108811 165.4
[M+CH3COO]- 261.124461 180.4
[M+Na-2H]- 223.085276 149.2
[M]+ 202.11006142 143.6
[M]- 202.11115858 143.6
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

No patent data available for this compound.