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

226
Patents

92.0626 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.069876 120.9
[M+Na]+ 115.05182 134.7
[M+NH4]+ 110.09642 133.4
[M+K]+ 131.02576 128.8
[M-H]- 91.055324 131.1
[M+Na-2H]- 113.03727 132.6
[M]+ 92.062051 127.1
[M]- 92.063149 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe