CID 53485537

1,1-cyclopropanediethanol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1CC1(CCO)CCO

InChI

InChI=1S/C7H14O2/c8-5-3-7(1-2-7)4-6-9/h8-9H,1-6H2

InChIKey

XCGQCNKZNMTORE-UHFFFAOYSA-N

Compound name

2-[1-(2-hydroxyethyl)cyclopropyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 130.09938 Da
Monoisotopic Mass: 0.5
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]+	131.10666	129.0
[M+Na]+	153.08860	140.2
[M+NH4]+	148.13320	138.8
[M+K]+	169.06254	134.8
[M-H]-	129.09210	136.0
[M+Na-2H]-	151.07405	137.2
[M]+	130.09883	133.6
[M]-	130.09993	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe