CID 56936207

9,10-heptacosadiene

Structural Information

Molecular Formula
C27H52
SMILES
CCCCCCCCCCCCCCCCC=C=CCCCCCCCC
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/h17,21H,3-16,18,20,22-27H2,1-2H3
InChIKey
XEQXUNAXOZVXKX-UHFFFAOYSA-N
Compound name
heptacosa-9,10-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.