CID 12454225

2-cyclohexen-1-one, 2-pentyl-

Structural Information

Molecular Formula
C11H18O
SMILES
CCCCCC1=CCCCC1=O
InChI
InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h8H,2-7,9H2,1H3
InChIKey
UDFUFXGJDJZSJD-UHFFFAOYSA-N
Compound name
2-pentylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

166.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.0
[M+Na]+ 189.12499 143.7
[M-H]- 165.12849 140.9
[M+NH4]+ 184.16959 158.7
[M+K]+ 205.09893 141.8
[M+H-H2O]+ 149.13303 132.4
[M+HCOO]- 211.13397 159.4
[M+CH3COO]- 225.14962 180.4
[M+Na-2H]- 187.11044 142.5
[M]+ 166.13522 136.9
[M]- 166.13632 136.9
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