CID 135988

Spiro[2,5]octane

Structural Information

Molecular Formula

C₈H₁₄

SMILES

C1CCC2(CC1)CC2

InChI

InChI=1S/C8H14/c1-2-4-8(5-3-1)6-7-8/h1-7H2

InChIKey

FOEYMRPOKBCNCR-UHFFFAOYSA-N

Compound name

spiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6755
Patents: 110.10955 Da
Monoisotopic Mass: 3.7
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]+	111.116826	125.2
[M+Na]+	133.098768	132.4
[M-H]-	109.102274	131.4
[M+NH4]+	128.143373	145.0
[M+K]+	149.072708	131.9
[M+H-H2O]+	93.106810	119.9
[M+HCOO]-	155.107751	145.9
[M+CH3COO]-	169.123401	170.9
[M+Na-2H]-	131.084216	133.5
[M]+	110.10900142	122.4
[M]-	110.11009858	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe