CID 12135702

461025-70-7

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

COC12CCCC1(CCO2)C=O

InChI

InChI=1S/C9H14O3/c1-11-9-4-2-3-8(9,7-10)5-6-12-9/h7H,2-6H2,1H3

InChIKey

AHWXEPDZYAZSJY-UHFFFAOYSA-N

Compound name

6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 170.0943 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]+	171.10158	136.7
[M+Na]+	193.08352	145.0
[M+NH4]+	188.12812	148.1
[M+K]+	209.05746	140.0
[M-H]-	169.08702	138.3
[M+Na-2H]-	191.06897	141.5
[M]+	170.09375	138.3
[M]-	170.09485	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe