CID 103591

2-propenylidene-cyclobutene

Structural Information

Molecular Formula
C7H8
SMILES
C=CC=C1CC=C1
InChI
InChI=1S/C7H8/c1-2-4-7-5-3-6-7/h2-5H,1,6H2
InChIKey
USDJJNZZCBONHN-UHFFFAOYSA-N
Compound name
3-prop-2-enylidenecyclobutene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

92.0626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.069876 113.6
[M+Na]+ 115.051818 120.9
[M-H]- 91.055324 117.6
[M+NH4]+ 110.096423 131.0
[M+K]+ 131.025758 122.0
[M+H-H2O]+ 75.059860 104.6
[M+HCOO]- 137.060801 137.5
[M+CH3COO]- 151.076451 169.3
[M+Na-2H]- 113.037266 121.5
[M]+ 92.06205142 121.2
[M]- 92.06314858 121.2
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

No patent data available for this compound.