CID 5281995

Trans-2-methyl-5-isopropylhexa-2,5-dienoic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)C(=C)C/C=C(\C)/C(=O)O
InChI
InChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h6-7H,3,5H2,1-2,4H3,(H,11,12)/b9-6+
InChIKey
HZNKOKJSWBRPRJ-RMKNXTFCSA-N
Compound name
(E)-2,6-dimethyl-5-methylidenehept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

168.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 141.1
[M+Na]+ 191.10426 149.2
[M+NH4]+ 186.14886 147.1
[M+K]+ 207.07820 145.6
[M-H]- 167.10776 138.5
[M+Na-2H]- 189.08971 141.8
[M]+ 168.11449 141.0
[M]- 168.11559 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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