CID 536514

2-(2-oxopropyl)cyclopentan-1-one

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(=O)CC1CCCC1=O
InChI
InChI=1S/C8H12O2/c1-6(9)5-7-3-2-4-8(7)10/h7H,2-5H2,1H3
InChIKey
BFMCCQBOSWKYPC-UHFFFAOYSA-N
Compound name
2-(2-oxopropyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

140.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.3
[M+Na]+ 163.072938 136.2
[M-H]- 139.076444 132.7
[M+NH4]+ 158.117543 152.7
[M+K]+ 179.046878 135.5
[M+H-H2O]+ 123.080980 124.6
[M+HCOO]- 185.081921 151.8
[M+CH3COO]- 199.097571 173.4
[M+Na-2H]- 161.058386 132.0
[M]+ 140.08317142 127.9
[M]- 140.08426858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe