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

9
Annotation Hits: 5222
References: 434247
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	112.3
[M+Na]+	97.062384	123.3
[M+NH4]+	92.106989	121.1
[M+K]+	113.03632	117.7
[M-H]-	73.065890	112.1
[M+Na-2H]-	95.047832	117.1
[M]+	74.072617	113.6
[M]-	74.073715	113.6

Literature stripe

literature stripe

Patent stripe

patents stripe