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

17
Patents

170.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 137.6
[M+Na]+ 193.08352 142.6
[M-H]- 169.08702 141.1
[M+NH4]+ 188.12812 153.2
[M+K]+ 209.05746 145.9
[M+H-H2O]+ 153.09156 128.6
[M+HCOO]- 215.09250 157.7
[M+CH3COO]- 229.10815 182.4
[M+Na-2H]- 191.06897 141.4
[M]+ 170.09375 147.5
[M]- 170.09485 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