CID 14464905

7z,11z-heptacosadiene

Structural Information

Molecular Formula
C27H52
SMILES
CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCCCC
InChI
InChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,21,23H,3-12,14,16-20,22,24-27H2,1-2H3/b15-13-,23-21-
InChIKey
RJYQFYALHBHYMG-ADYYPQGGSA-N
Compound name
(7Z,11Z)-heptacosa-7,11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.4069 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.41418 209.9
[M+Na]+ 399.39612 209.2
[M-H]- 375.39962 206.3
[M+NH4]+ 394.44072 222.3
[M+K]+ 415.37006 202.2
[M+H-H2O]+ 359.40416 201.9
[M+HCOO]- 421.40510 227.1
[M+CH3COO]- 435.42075 227.4
[M+Na-2H]- 397.38157 205.8
[M]+ 376.40635 217.6
[M]- 376.40745 217.6
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