CID 68279649

4-(1-methyl-1h-imidazol-2-yl)butan-1-ol

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CN1C=CN=C1CCCCO

InChI

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

InChIKey

QXZDUYPVTPRMMY-UHFFFAOYSA-N

Compound name

4-(1-methylimidazol-2-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.11061 Da
Monoisotopic Mass: 0.3
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	133.6
[M+Na]+	177.099828	141.9
[M-H]-	153.103334	133.2
[M+NH4]+	172.144433	153.5
[M+K]+	193.073768	140.0
[M+H-H2O]+	137.107870	126.8
[M+HCOO]-	199.108811	155.4
[M+CH3COO]-	213.124461	174.3
[M+Na-2H]-	175.085276	138.7
[M]+	154.11006142	134.8
[M]-	154.11115858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe