CID 63975155

1-(1-methyl-1h-imidazol-2-yl)-3-phenylpropan-1-ol

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN1C=CN=C1C(CCC2=CC=CC=C2)O
InChI
InChI=1S/C13H16N2O/c1-15-10-9-14-13(15)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12,16H,7-8H2,1H3
InChIKey
VQSZXGMRUDDAGZ-UHFFFAOYSA-N
Compound name
1-(1-methylimidazol-2-yl)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.4
[M+Na]+ 239.11549 156.6
[M-H]- 215.11899 152.1
[M+NH4]+ 234.16009 166.2
[M+K]+ 255.08943 153.0
[M+H-H2O]+ 199.12353 141.2
[M+HCOO]- 261.12447 170.0
[M+CH3COO]- 275.14012 185.7
[M+Na-2H]- 237.10094 153.0
[M]+ 216.12572 149.2
[M]- 216.12682 149.2
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.