CID 70480850

2-cyclopropyl-2-methoxyethan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

COC(CO)C1CC1

InChI

InChI=1S/C6H12O2/c1-8-6(4-7)5-2-3-5/h5-7H,2-4H2,1H3

InChIKey

IJDJOJOQCKVGPI-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-methoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 116.08373 Da
Monoisotopic Mass: 0.2
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]+	117.091006	123.2
[M+Na]+	139.072948	131.8
[M-H]-	115.076454	126.7
[M+NH4]+	134.117553	140.4
[M+K]+	155.046888	130.6
[M+H-H2O]+	99.080990	117.9
[M+HCOO]-	161.081931	145.5
[M+CH3COO]-	175.097581	171.6
[M+Na-2H]-	137.058396	129.3
[M]+	116.08318142	126.1
[M]-	116.08427858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe