CID 126974076

(1-cyclopropyl-1h-imidazol-4-yl)methanol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC1N2C=C(N=C2)CO

InChI

InChI=1S/C7H10N2O/c10-4-6-3-9(5-8-6)7-1-2-7/h3,5,7,10H,1-2,4H2

InChIKey

XIAHMQYPKIWUNP-UHFFFAOYSA-N

Compound name

(1-cyclopropylimidazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.07932 Da
Monoisotopic Mass: -0.4
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]+	139.086596	131.1
[M+Na]+	161.068538	141.8
[M-H]-	137.072044	135.0
[M+NH4]+	156.113143	146.6
[M+K]+	177.042478	138.3
[M+H-H2O]+	121.076580	123.9
[M+HCOO]-	183.077521	153.6
[M+CH3COO]-	197.093171	173.6
[M+Na-2H]-	159.053986	136.8
[M]+	138.07877142	132.9
[M]-	138.07986858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.