CID 3064167

N-(4-sec-butyl-alpha-hydroxyphenethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCC(C)C1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C15H20N2O/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17/h4-9,11-12,15,18H,3,10H2,1-2H3
InChIKey
QVEXUODERTZIDY-UHFFFAOYSA-N
Compound name
1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 158.8
[M+Na]+ 267.14678 164.7
[M-H]- 243.15028 161.2
[M+NH4]+ 262.19138 174.4
[M+K]+ 283.12072 161.2
[M+H-H2O]+ 227.15482 150.3
[M+HCOO]- 289.15576 177.7
[M+CH3COO]- 303.17141 192.5
[M+Na-2H]- 265.13223 160.2
[M]+ 244.15701 158.7
[M]- 244.15811 158.7
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.