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 155.3
[M+Na]+ 257.15121 161.0
[M-H]- 233.15471 157.1
[M+NH4]+ 252.19581 174.8
[M+K]+ 273.12515 157.8
[M+H-H2O]+ 217.15925 150.9
[M+HCOO]- 279.16019 172.6
[M+CH3COO]- 293.17584 191.2
[M+Na-2H]- 255.13666 155.5
[M]+ 234.16144 153.1
[M]- 234.16254 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.