CID 520109

24297-12-9

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

C#CC(C1CC1)(C2CC2)O

InChI

InChI=1S/C9H12O/c1-2-9(10,7-3-4-7)8-5-6-8/h1,7-8,10H,3-6H2

InChIKey

OXBOSLIINGKALV-UHFFFAOYSA-N

Compound name

1,1-dicyclopropylprop-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 136.08882 Da
Monoisotopic Mass: 1.0
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]+	137.096096	132.1
[M+Na]+	159.078038	148.6
[M-H]-	135.081544	140.1
[M+NH4]+	154.122643	143.9
[M+K]+	175.051978	141.3
[M+H-H2O]+	119.086080	126.7
[M+HCOO]-	181.087021	148.9
[M+CH3COO]-	195.102671	193.2
[M+Na-2H]-	157.063486	139.3
[M]+	136.08827142	132.9
[M]-	136.08936858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe