CID 72252583

Ns00122803

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC(C=C(C)O)O

InChI

InChI=1S/C5H10O2/c1-4(6)3-5(2)7/h3-4,6-7H,1-2H3

InChIKey

QLFZTEPPIUPMAI-UHFFFAOYSA-N

Compound name

pent-2-ene-2,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 102.06808 Da
Monoisotopic Mass: 0.3
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]+	103.075356	121.2
[M+Na]+	125.057298	127.9
[M-H]-	101.060804	119.1
[M+NH4]+	120.101903	143.1
[M+K]+	141.031238	127.4
[M+H-H2O]+	85.065340	117.6
[M+HCOO]-	147.066281	141.0
[M+CH3COO]-	161.081931	162.8
[M+Na-2H]-	123.042746	125.2
[M]+	102.06753142	119.0
[M]-	102.06862858	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe