CID 14633002

Dtxsid201150252

Structural Information

Molecular Formula
C15H20O2
SMILES
C/C/1=C\C/C(=C(/C)\C=O)/C(=O)C/C(=C/CC1)/C
InChI
InChI=1S/C15H20O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+,14-13+
InChIKey
QYFIJPMUVNMVMC-UPXYLJBOSA-N
Compound name
(2E)-2-[(3E,7E)-4,8-dimethyl-10-oxocyclodeca-3,7-dien-1-ylidene]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 149.8
[M+Na]+ 255.135548 156.7
[M-H]- 231.139054 150.9
[M+NH4]+ 250.180153 165.8
[M+K]+ 271.109488 154.5
[M+H-H2O]+ 215.143590 147.5
[M+HCOO]- 277.144531 169.4
[M+CH3COO]- 291.160181 189.1
[M+Na-2H]- 253.120996 149.9
[M]+ 232.14578142 146.0
[M]- 232.14687858 146.0
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

No patent data available for this compound.