CID 136590

Spiro[2.4]hepta-4,6-diene

Structural Information

Molecular Formula

C₇H₈

SMILES

C1CC12C=CC=C2

InChI

InChI=1S/C7H8/c1-2-4-7(3-1)5-6-7/h1-4H,5-6H2

InChIKey

KPDOKSJMJMDRQA-UHFFFAOYSA-N

Compound name

spiro[2.4]hepta-4,6-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 340
Patents: 92.0626 Da
Monoisotopic Mass: 2.5
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]+	93.069876	116.2
[M+Na]+	115.05182	126.8
[M-H]-	91.055324	123.4
[M+NH4]+	110.09642	138.6
[M+K]+	131.02576	125.6
[M+H-H2O]+	75.059860	111.5
[M+HCOO]-	137.06080	141.9
[M+CH3COO]-	151.07645	131.9
[M+Na-2H]-	113.03727	125.8
[M]+	92.062051	117.8
[M]-	92.063149	117.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.