CID 21363450

Schembl21067619

Structural Information

Molecular Formula
C15H20O4
SMILES
C(C/C=C(/CC/C=C(/CCC=O)\C=O)\C=O)CC=O
InChI
InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2/b14-6-,15-8-
InChIKey
WRPMDTWVLJJHMV-IMOXEJQSSA-N
Compound name
(3Z,7Z)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.13617 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 162.8
[M+Na]+ 287.125388 167.7
[M-H]- 263.128894 161.8
[M+NH4]+ 282.169993 179.1
[M+K]+ 303.099328 164.3
[M+H-H2O]+ 247.133430 156.8
[M+HCOO]- 309.134371 183.9
[M+CH3COO]- 323.150021 197.2
[M+Na-2H]- 285.110836 163.0
[M]+ 264.13562142 167.7
[M]- 264.13671858 167.7
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