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

13
Patents

128.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.6
[M+Na]+ 151.072938 132.9
[M-H]- 127.076444 129.0
[M+NH4]+ 146.117543 149.6
[M+K]+ 167.046878 132.6
[M+H-H2O]+ 111.080980 120.9
[M+HCOO]- 173.081921 149.3
[M+CH3COO]- 187.097571 170.4
[M+Na-2H]- 149.058386 130.0
[M]+ 128.08317142 125.2
[M]- 128.08426858 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