CID 137642

2-cyclopropylethanol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

C1CC1CCO

InChI

InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2

InChIKey

LUNMJRJMSXZSLC-UHFFFAOYSA-N

Compound name

2-cyclopropylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4803
Patents: 86.073166 Da
Monoisotopic Mass: 1.0
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]+	87.080442	115.5
[M+Na]+	109.06238	124.7
[M-H]-	85.065890	119.2
[M+NH4]+	104.10699	133.9
[M+K]+	125.03632	123.2
[M+H-H2O]+	69.070426	110.4
[M+HCOO]-	131.07137	138.8
[M+CH3COO]-	145.08702	166.1
[M+Na-2H]-	107.04783	123.4
[M]+	86.072617	117.2
[M]-	86.073715	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe