CID 136897

1-cyclopentylpropan-2-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC(=O)CC1CCCC1
InChI
InChI=1S/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3
InChIKey
YYJCNNFQNIAISZ-UHFFFAOYSA-N
Compound name
1-cyclopentylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

126.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.9
[M+Na]+ 149.09368 138.5
[M+NH4]+ 144.13828 137.9
[M+K]+ 165.06762 134.4
[M-H]- 125.09718 130.1
[M+Na-2H]- 147.07913 133.2
[M]+ 126.10391 130.4
[M]- 126.10501 130.4
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