CID 7358

2-ethyl-1-butanol

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCC(CC)CO

InChI

InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3

InChIKey

TZYRSLHNPKPEFV-UHFFFAOYSA-N

Compound name

2-ethylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 9
References: 36480
Patents: 102.10446 Da
Monoisotopic Mass: 1.6
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]+	103.11174	123.0
[M+Na]+	125.09368	129.6
[M-H]-	101.09718	122.0
[M+NH4]+	120.13828	145.7
[M+K]+	141.06762	129.5
[M+H-H2O]+	85.101720	119.0
[M+HCOO]-	147.10266	144.5
[M+CH3COO]-	161.11831	167.4
[M+Na-2H]-	123.07913	128.4
[M]+	102.10391	123.2
[M]-	102.10501	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe