CID 10954155

459-85-8

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(=CCC/C(=C/CC(=O)O)/C)C
InChI
InChI=1S/C11H18O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7H,4,6,8H2,1-3H3,(H,12,13)/b10-7+
InChIKey
UAXLWQGEEXDYOB-JXMROGBWSA-N
Compound name
(3E)-4,8-dimethylnona-3,7-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

182.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 145.0
[M+Na]+ 205.11990 150.2
[M-H]- 181.12340 143.4
[M+NH4]+ 200.16450 164.3
[M+K]+ 221.09384 148.2
[M+H-H2O]+ 165.12794 140.3
[M+HCOO]- 227.12888 163.8
[M+CH3COO]- 241.14453 182.0
[M+Na-2H]- 203.10535 145.2
[M]+ 182.13013 145.0
[M]- 182.13123 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe