CID 45480504

Methyl 2-cyclobutylideneacetate

Structural Information

Molecular Formula
C7H10O2
SMILES
COC(=O)C=C1CCC1
InChI
InChI=1S/C7H10O2/c1-9-7(8)5-6-3-2-4-6/h5H,2-4H2,1H3
InChIKey
AXSGAQISQQNVKB-UHFFFAOYSA-N
Compound name
methyl 2-cyclobutylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

126.06808 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 122.9
[M+Na]+ 149.057298 128.5
[M-H]- 125.060804 126.5
[M+NH4]+ 144.101903 138.6
[M+K]+ 165.031238 131.3
[M+H-H2O]+ 109.065340 113.3
[M+HCOO]- 171.066281 144.7
[M+CH3COO]- 185.081931 173.5
[M+Na-2H]- 147.042746 128.2
[M]+ 126.06753142 131.1
[M]- 126.06862858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe