CID 6366129

4,8-decadienoic acid, 5,9-dimethyl-2-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C17H31NO2
SMILES
CC(=CCC/C(=C/CC(CCCN(C)C)C(=O)O)/C)C
InChI
InChI=1S/C17H31NO2/c1-14(2)8-6-9-15(3)11-12-16(17(19)20)10-7-13-18(4)5/h8,11,16H,6-7,9-10,12-13H2,1-5H3,(H,19,20)/b15-11+
InChIKey
YJLRGSXYXOQIGX-RVDMUPIBSA-N
Compound name
(4E)-2-[3-(dimethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.23547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.242746 176.9
[M+Na]+ 304.224688 178.7
[M-H]- 280.228194 175.7
[M+NH4]+ 299.269293 192.4
[M+K]+ 320.198628 177.1
[M+H-H2O]+ 264.232730 170.6
[M+HCOO]- 326.233671 194.3
[M+CH3COO]- 340.249321 209.3
[M+Na-2H]- 302.210136 172.1
[M]+ 281.23492142 178.9
[M]- 281.23601858 178.9
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

patents stripe