CID 550814

154393-49-4

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1CC1(CCO)CO

InChI

InChI=1S/C6H12O2/c7-4-3-6(5-8)1-2-6/h7-8H,1-5H2

InChIKey

HITKZZXNPQCJGP-UHFFFAOYSA-N

Compound name

2-[1-(hydroxymethyl)cyclopropyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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]+	117.09101	125.2
[M+Na]+	139.07295	136.6
[M+NH4]+	134.11755	135.2
[M+K]+	155.04689	131.4
[M-H]-	115.07645	132.3
[M+Na-2H]-	137.05840	133.6
[M]+	116.08318	129.9
[M]-	116.08428	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe