CID 138560193

Refchem:404232

Structural Information

Molecular Formula
C10H16O
SMILES
C/C=C/C(=O)C(C)(C)C(=C)C
InChI
InChI=1S/C10H16O/c1-6-7-9(11)10(4,5)8(2)3/h6-7H,2H2,1,3-5H3/b7-6+
InChIKey
OSIYZAKCSBXYNG-VOTSOKGWSA-N
Compound name
(5E)-2,3,3-trimethylhepta-1,5-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

152.12012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 134.2
[M+Na]+ 175.109338 140.9
[M-H]- 151.112844 134.6
[M+NH4]+ 170.153943 155.7
[M+K]+ 191.083278 139.7
[M+H-H2O]+ 135.117380 130.5
[M+HCOO]- 197.118321 154.2
[M+CH3COO]- 211.133971 179.8
[M+Na-2H]- 173.094786 137.7
[M]+ 152.11957142 134.6
[M]- 152.12066858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe