CID 11182580

25073-26-1

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C(CO)/C=C/CO

InChI

InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h1-2,6-7H,3-5H2/b2-1+

InChIKey

YWZHEUFCDPRCAD-OWOJBTEDSA-N

Compound name

(E)-pent-2-ene-1,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 520
Patents: 102.06808 Da
Monoisotopic Mass: -0.4
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	120.5
[M+Na]+	125.05730	127.7
[M-H]-	101.06080	118.1
[M+NH4]+	120.10190	142.5
[M+K]+	141.03124	126.2
[M+H-H2O]+	85.065340	116.7
[M+HCOO]-	147.06628	142.3
[M+CH3COO]-	161.08193	161.1
[M+Na-2H]-	123.04275	127.1
[M]+	102.06753	119.7
[M]-	102.06863	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe