CID 101184374

Refchem:399184

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=CCCC(C1/C=C/C(=C\C(=O)O)/C)(C)C
InChI
InChI=1S/C15H22O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h6-8,10,13H,5,9H2,1-4H3,(H,16,17)/b8-7+,11-10-
InChIKey
ORMSPYIOCROMQP-LFOHPMNASA-N
Compound name
(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 155.3
[M+Na]+ 257.151208 161.0
[M-H]- 233.154714 157.1
[M+NH4]+ 252.195813 174.8
[M+K]+ 273.125148 157.8
[M+H-H2O]+ 217.159250 150.9
[M+HCOO]- 279.160191 172.6
[M+CH3COO]- 293.175841 191.2
[M+Na-2H]- 255.136656 155.5
[M]+ 234.16144142 153.1
[M]- 234.16253858 153.1
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.