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: 52
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]+	131.106656	127.7
[M+Na]+	153.088598	136.4
[M-H]-	129.092104	129.9
[M+NH4]+	148.133203	145.6
[M+K]+	169.062538	134.5
[M+H-H2O]+	113.096640	123.7
[M+HCOO]-	175.097581	148.7
[M+CH3COO]-	189.113231	170.7
[M+Na-2H]-	151.074046	135.1
[M]+	130.09883142	130.2
[M]-	130.09992858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe