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]+ 171.101576 135.9
[M+Na]+ 193.083518 143.4
[M-H]- 169.087024 139.5
[M+NH4]+ 188.128123 158.4
[M+K]+ 209.057458 142.9
[M+H-H2O]+ 153.091560 131.2
[M+HCOO]- 215.092501 158.3
[M+CH3COO]- 229.108151 178.9
[M+Na-2H]- 191.068966 137.5
[M]+ 170.09375142 136.6
[M]- 170.09484858 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