CID 545093

1-ethylcyclopropanol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CCC1(CC1)O

InChI

InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3

InChIKey

XZUJSRYCYMMXFZ-UHFFFAOYSA-N

Compound name

1-ethylcyclopropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 86.073166 Da
Monoisotopic Mass: 0.8
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	117.8
[M+Na]+	109.06238	130.3
[M+NH4]+	104.10699	128.8
[M+K]+	125.03632	124.6
[M-H]-	85.065890	125.9
[M+Na-2H]-	107.04783	127.5
[M]+	86.072617	123.1
[M]-	86.073715	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe