CID 225711

5057-99-8

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1C[C@H]([C@@H](C1)O)O

InChI

InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1

InChIKey

VCVOSERVUCJNPR-RFZPGFLSSA-N

Compound name

(1R,2R)-cyclopentane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 616
Patents: 102.06808 Da
Monoisotopic Mass: -0.1
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	119.4
[M+Na]+	125.05730	126.3
[M-H]-	101.06080	120.2
[M+NH4]+	120.10190	142.9
[M+K]+	141.03124	125.2
[M+H-H2O]+	85.065340	115.3
[M+HCOO]-	147.06628	140.4
[M+CH3COO]-	161.08193	159.9
[M+Na-2H]-	123.04275	123.7
[M]+	102.06753	115.0
[M]-	102.06863	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe