CID 98471

2-acetylcyclopentanone

Structural Information

Molecular Formula
C7H10O2
SMILES
CC(=O)C1CCCC1=O
InChI
InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3
InChIKey
OSWDNIFICGLKEE-UHFFFAOYSA-N
Compound name
2-acetylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

1434
Patents

126.06808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.6
[M+Na]+ 149.057298 131.9
[M-H]- 125.060804 128.2
[M+NH4]+ 144.101903 148.5
[M+K]+ 165.031238 131.5
[M+H-H2O]+ 109.065340 120.1
[M+HCOO]- 171.066281 147.4
[M+CH3COO]- 185.081931 170.3
[M+Na-2H]- 147.042746 127.8
[M]+ 126.06753142 122.8
[M]- 126.06862858 122.8
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