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: 56
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	127.7
[M+Na]+	153.08860	136.4
[M-H]-	129.09210	129.9
[M+NH4]+	148.13320	145.6
[M+K]+	169.06254	134.5
[M+H-H2O]+	113.09664	123.7
[M+HCOO]-	175.09758	148.7
[M+CH3COO]-	189.11323	170.7
[M+Na-2H]-	151.07405	135.1
[M]+	130.09883	130.2
[M]-	130.09993	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe