CID 12441662

1-cyclopropylbutan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCCC(C1CC1)O

InChI

InChI=1S/C7H14O/c1-2-3-7(8)6-4-5-6/h6-8H,2-5H2,1H3

InChIKey

WVALFCMAGSOASB-UHFFFAOYSA-N

Compound name

1-cyclopropylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 114.10446 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]+	115.11174	124.2
[M+Na]+	137.09368	135.8
[M+NH4]+	132.13828	133.4
[M+K]+	153.06762	132.0
[M-H]-	113.09718	131.8
[M+Na-2H]-	135.07913	131.6
[M]+	114.10391	128.9
[M]-	114.10501	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe