CID 12570572

10264-56-9

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)C1CCC(=O)C1
InChI
InChI=1S/C8H14O/c1-6(2)7-3-4-8(9)5-7/h6-7H,3-5H2,1-2H3
InChIKey
PYAUPTMCTBUIGA-UHFFFAOYSA-N
Compound name
3-propan-2-ylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.6
[M+Na]+ 149.093678 134.3
[M-H]- 125.097184 131.0
[M+NH4]+ 144.138283 151.7
[M+K]+ 165.067618 133.7
[M+H-H2O]+ 109.101720 123.0
[M+HCOO]- 171.102661 149.7
[M+CH3COO]- 185.118311 172.3
[M+Na-2H]- 147.079126 130.2
[M]+ 126.10391142 125.4
[M]- 126.10500858 125.4
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