CID 44146507

Hexahydro-6a-pentyl-2h-cyclopenta[b]furan

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCCCCC12CCCC1CCO2

InChI

InChI=1S/C12H22O/c1-2-3-4-8-12-9-5-6-11(12)7-10-13-12/h11H,2-10H2,1H3

InChIKey

MKNDEHITWQEWCT-UHFFFAOYSA-N

Compound name

6a-pentyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.16707 Da
Monoisotopic Mass: 3.5
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]+	183.174346	145.7
[M+Na]+	205.156288	151.0
[M-H]-	181.159794	149.6
[M+NH4]+	200.200893	170.6
[M+K]+	221.130228	150.0
[M+H-H2O]+	165.164330	141.3
[M+HCOO]-	227.165271	165.5
[M+CH3COO]-	241.180921	180.9
[M+Na-2H]-	203.141736	149.4
[M]+	182.16652142	144.8
[M]-	182.16761858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe