CID 13716826

Methyl 2-(2-methyl-3-oxocyclopentyl)acetate

Structural Information

Molecular Formula
C9H14O3
SMILES
CC1C(CCC1=O)CC(=O)OC
InChI
InChI=1S/C9H14O3/c1-6-7(3-4-8(6)10)5-9(11)12-2/h6-7H,3-5H2,1-2H3
InChIKey
KFWISWTYJGPPPU-UHFFFAOYSA-N
Compound name
methyl 2-(2-methyl-3-oxocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 135.9
[M+Na]+ 193.08352 143.4
[M-H]- 169.08702 139.5
[M+NH4]+ 188.12812 158.4
[M+K]+ 209.05746 142.9
[M+H-H2O]+ 153.09156 131.2
[M+HCOO]- 215.09250 158.3
[M+CH3COO]- 229.10815 178.9
[M+Na-2H]- 191.06897 137.5
[M]+ 170.09375 136.6
[M]- 170.09485 136.6
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