CID 12422982

1-cyclopropylhexan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCCC(C1CC1)O

InChI

InChI=1S/C9H18O/c1-2-3-4-5-9(10)8-6-7-8/h8-10H,2-7H2,1H3

InChIKey

WORZTKGENJDWCD-UHFFFAOYSA-N

Compound name

1-cyclopropylhexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.14305	131.9
[M+Na]+	165.12499	143.1
[M+NH4]+	160.16959	140.7
[M+K]+	181.09893	138.9
[M-H]-	141.12849	139.4
[M+Na-2H]-	163.11044	138.8
[M]+	142.13522	136.5
[M]-	142.13632	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe