CID 73821822

Nakienone c

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCC=C1COC(C2=C1C(=O)CC2)O

InChI

InChI=1S/C11H14O3/c1-2-3-7-6-14-11(13)8-4-5-9(12)10(7)8/h3,11,13H,2,4-6H2,1H3

InChIKey

QUOUWQGLKHXESX-UHFFFAOYSA-N

Compound name

1-hydroxy-4-propylidene-6,7-dihydro-1H-cyclopenta[c]pyran-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 194.0943 Da
Monoisotopic Mass: -0.2
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]+	195.101576	140.9
[M+Na]+	217.083518	148.8
[M-H]-	193.087024	144.7
[M+NH4]+	212.128123	161.7
[M+K]+	233.057458	146.7
[M+H-H2O]+	177.091560	136.6
[M+HCOO]-	239.092501	159.7
[M+CH3COO]-	253.108151	180.5
[M+Na-2H]-	215.068966	144.5
[M]+	194.09375142	139.6
[M]-	194.09484858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe