CID 22055226

(5-tert-butyl-1h-imidazol-4-yl)methanol

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(C)(C)C1=C(NC=N1)CO

InChI

InChI=1S/C8H14N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h5,11H,4H2,1-3H3,(H,9,10)

InChIKey

DKGPAJORZYZGOY-UHFFFAOYSA-N

Compound name

(4-tert-butyl-1H-imidazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 154.11061 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.117886	135.6
[M+Na]+	177.099828	144.0
[M-H]-	153.103334	134.3
[M+NH4]+	172.144433	155.0
[M+K]+	193.073768	141.6
[M+H-H2O]+	137.107870	129.9
[M+HCOO]-	199.108811	154.3
[M+CH3COO]-	213.124461	171.3
[M+Na-2H]-	175.085276	140.9
[M]+	154.11006142	134.3
[M]-	154.11115858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe