CID 13764887

2-ethoxycyclopentan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC1CCCC1=O
InChI
InChI=1S/C7H12O2/c1-2-9-7-5-3-4-6(7)8/h7H,2-5H2,1H3
InChIKey
UVPDFYNNAVDCJM-UHFFFAOYSA-N
Compound name
2-ethoxycyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

128.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.6
[M+Na]+ 151.07294 132.9
[M-H]- 127.07644 129.0
[M+NH4]+ 146.11754 149.6
[M+K]+ 167.04688 132.6
[M+H-H2O]+ 111.08098 120.9
[M+HCOO]- 173.08192 149.3
[M+CH3COO]- 187.09757 170.4
[M+Na-2H]- 149.05839 130.0
[M]+ 128.08317 125.2
[M]- 128.08427 125.2
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