CID 101184374

(2z,4e)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid

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]+ 235.16927 158.1
[M+Na]+ 257.15121 167.9
[M+NH4]+ 252.19581 166.1
[M+K]+ 273.12515 160.2
[M-H]- 233.15471 158.3
[M+Na-2H]- 255.13666 162.1
[M]+ 234.16144 159.4
[M]- 234.16254 159.4
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.