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

130
Patents

126.06808 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 122.9
[M+Na]+ 149.05730 128.5
[M-H]- 125.06080 126.5
[M+NH4]+ 144.10190 138.6
[M+K]+ 165.03124 131.3
[M+H-H2O]+ 109.06534 113.3
[M+HCOO]- 171.06628 144.7
[M+CH3COO]- 185.08193 173.5
[M+Na-2H]- 147.04275 128.2
[M]+ 126.06753 131.1
[M]- 126.06863 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