CID 1549018

Cis-jasmone

Structural Information

Molecular Formula
C11H16O
SMILES
CC/C=C\CC1=C(CCC1=O)C
InChI
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKey
XMLSXPIVAXONDL-PLNGDYQASA-N
Compound name
3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

89
References

13520
Patents

164.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 136.9
[M+Na]+ 187.109338 144.9
[M-H]- 163.112844 140.5
[M+NH4]+ 182.153943 159.9
[M+K]+ 203.083278 142.3
[M+H-H2O]+ 147.117380 132.0
[M+HCOO]- 209.118321 160.7
[M+CH3COO]- 223.133971 179.7
[M+Na-2H]- 185.094786 139.5
[M]+ 164.11957142 137.5
[M]- 164.12066858 137.5
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