CID 79104

1-cyclopropylethanol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC(C1CC1)O

InChI

InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3

InChIKey

DKKVKJZXOBFLRY-UHFFFAOYSA-N

Compound name

1-cyclopropylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3123
Patents: 86.073166 Da
Monoisotopic Mass: 0.7
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	115.2
[M+Na]+	109.06238	124.2
[M-H]-	85.065890	118.9
[M+NH4]+	104.10699	133.5
[M+K]+	125.03632	123.0
[M+H-H2O]+	69.070426	110.2
[M+HCOO]-	131.07137	137.5
[M+CH3COO]-	145.08702	166.8
[M+Na-2H]-	107.04783	121.9
[M]+	86.072617	116.3
[M]-	86.073715	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe