CID 12116588

Ethyl 1-acetylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)C1(CCC1)C(=O)C
InChI
InChI=1S/C9H14O3/c1-3-12-8(11)9(7(2)10)5-4-6-9/h3-6H2,1-2H3
InChIKey
RMXJKLCXYPHSMA-UHFFFAOYSA-N
Compound name
ethyl 1-acetylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

170.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 137.6
[M+Na]+ 193.083518 142.6
[M-H]- 169.087024 141.1
[M+NH4]+ 188.128123 153.2
[M+K]+ 209.057458 145.9
[M+H-H2O]+ 153.091560 128.6
[M+HCOO]- 215.092501 157.7
[M+CH3COO]- 229.108151 182.4
[M+Na-2H]- 191.068966 141.4
[M]+ 170.09375142 147.5
[M]- 170.09484858 147.5
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