CID 20261030

Ethyl 2-cyclobutylprop-2-enoate

Structural Information

Molecular Formula
C9H14O2
SMILES
CCOC(=O)C(=C)C1CCC1
InChI
InChI=1S/C9H14O2/c1-3-11-9(10)7(2)8-5-4-6-8/h8H,2-6H2,1H3
InChIKey
NZTWNZCGGMGRMR-UHFFFAOYSA-N
Compound name
ethyl 2-cyclobutylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.0
[M+Na]+ 177.08860 138.3
[M-H]- 153.09210 137.1
[M+NH4]+ 172.13320 148.3
[M+K]+ 193.06254 141.0
[M+H-H2O]+ 137.09664 123.8
[M+HCOO]- 199.09758 154.0
[M+CH3COO]- 213.11323 180.9
[M+Na-2H]- 175.07405 136.7
[M]+ 154.09883 142.2
[M]- 154.09993 142.2
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