CID 6568

2-butanol

Structural Information

Molecular Formula

C₄H₁₀O

SMILES

CCC(C)O

InChI

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey

BTANRVKWQNVYAZ-UHFFFAOYSA-N

Compound name

butan-2-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 405
References: 105927
Patents: 74.073166 Da
Monoisotopic Mass: 0.6
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	112.8
[M+Na]+	97.062384	123.5
[M+NH4]+	92.106989	121.6
[M+K]+	113.03632	118.6
[M-H]-	73.065890	112.4
[M+Na-2H]-	95.047832	117.2
[M]+	74.072617	114.0
[M]-	74.073715	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe