CID 263

1-butanol

Structural Information

Molecular Formula

C₄H₁₀O

SMILES

CCCCO

InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

InChIKey

LRHPLDYGYMQRHN-UHFFFAOYSA-N

Compound name

butan-1-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 5225
References: 569778
Patents: 74.073166 Da
Monoisotopic Mass: 0.9
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]+	75.080442	113.2
[M+Na]+	97.062384	120.8
[M-H]-	73.065890	112.5
[M+NH4]+	92.106989	137.1
[M+K]+	113.03632	120.9
[M+H-H2O]+	57.070426	109.6
[M+HCOO]-	119.07137	136.4
[M+CH3COO]-	133.08702	160.5
[M+Na-2H]-	95.047832	121.0
[M]+	74.072617	113.3
[M]-	74.073715	113.3

Literature stripe

literature stripe

Patent stripe

patents stripe