CID 6019677

63095-33-0

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC/C=C\CCC1CCC(=O)O1

InChI

InChI=1S/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey

NKNGVPNCSFZRSM-ARJAWSKDSA-N

Compound name

5-[(Z)-hex-3-enyl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 362
Patents: 168.11504 Da
Monoisotopic Mass: 2.4
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]+	169.122316	138.2
[M+Na]+	191.104258	144.7
[M-H]-	167.107764	141.8
[M+NH4]+	186.148863	159.3
[M+K]+	207.078198	143.9
[M+H-H2O]+	151.112300	133.2
[M+HCOO]-	213.113241	160.2
[M+CH3COO]-	227.128891	177.9
[M+Na-2H]-	189.089706	142.0
[M]+	168.11449142	138.7
[M]-	168.11558858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe