CID 13050135

Ethyl 1-acetylcyclopentane-1-carboxylate

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC(=O)C1(CCCC1)C(=O)C
InChI
InChI=1S/C10H16O3/c1-3-13-9(12)10(8(2)11)6-4-5-7-10/h3-7H2,1-2H3
InChIKey
POZMOHUCPZIZCS-UHFFFAOYSA-N
Compound name
ethyl 1-acetylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

184.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 142.1
[M+Na]+ 207.09916 147.9
[M-H]- 183.10266 145.2
[M+NH4]+ 202.14376 165.3
[M+K]+ 223.07310 147.8
[M+H-H2O]+ 167.10720 137.7
[M+HCOO]- 229.10814 163.2
[M+CH3COO]- 243.12379 180.0
[M+Na-2H]- 205.08461 144.4
[M]+ 184.10939 142.1
[M]- 184.11049 142.1
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