CID 10964425

2345-68-8

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1[C@@H]([C@@H]1CO)CO

InChI

InChI=1S/C5H10O2/c6-2-4-1-5(4)3-7/h4-7H,1-3H2/t4-,5+

InChIKey

SWXDNKVUVKMURJ-SYDPRGILSA-N

Compound name

[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 102.06808 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]+	103.07536	117.8
[M+Na]+	125.05730	127.6
[M-H]-	101.06080	120.4
[M+NH4]+	120.10190	135.2
[M+K]+	141.03124	125.2
[M+H-H2O]+	85.065340	113.2
[M+HCOO]-	147.06628	139.9
[M+CH3COO]-	161.08193	166.4
[M+Na-2H]-	123.04275	124.6
[M]+	102.06753	119.6
[M]-	102.06863	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe