CID 132342035

2137987-36-9

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CO[C@]12CCC[C@]1(CCO2)N

InChI

InChI=1S/C8H15NO2/c1-10-8-4-2-3-7(8,9)5-6-11-8/h2-6,9H2,1H3/t7-,8+/m1/s1

InChIKey

CXWKQHIKQSRYGE-SFYZADRCSA-N

Compound name

(3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.11028 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]+	158.117556	132.0
[M+Na]+	180.099498	139.0
[M-H]-	156.103004	136.3
[M+NH4]+	175.144103	159.2
[M+K]+	196.073438	139.0
[M+H-H2O]+	140.107540	128.5
[M+HCOO]-	202.108481	153.7
[M+CH3COO]-	216.124131	174.8
[M+Na-2H]-	178.084946	138.8
[M]+	157.10973142	129.9
[M]-	157.11082858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.