CID 5354903

3-buten-2-one, 4-cyclohexyl-

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=O)/C=C/C1CCCCC1
InChI
InChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b8-7+
InChIKey
PZJXLLHDHUDWFH-BQYQJAHWSA-N
Compound name
(E)-4-cyclohexylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

52
Patents

152.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 135.2
[M+Na]+ 175.109338 139.4
[M-H]- 151.112844 137.7
[M+NH4]+ 170.153943 156.0
[M+K]+ 191.083278 137.8
[M+H-H2O]+ 135.117380 129.7
[M+HCOO]- 197.118321 154.7
[M+CH3COO]- 211.133971 175.9
[M+Na-2H]- 173.094786 138.7
[M]+ 152.11957142 130.4
[M]- 152.12066858 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