CID 56936209

9,27-heptatricontadiene

Structural Information

Molecular Formula
C37H72
SMILES
CCCCCCCCC/C=C/CCCCCCCCCCCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C37H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19-20,22H,3-16,18,21,23-37H2,1-2H3/b19-17+,22-20+
InChIKey
XGKCYMLFEFOYQU-ZEYSCXRRSA-N
Compound name
(9E,27E)-heptatriaconta-9,27-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.5634 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.57068 252.7
[M+Na]+ 539.55262 259.0
[M-H]- 515.55612 230.5
[M+NH4]+ 534.59722 248.2
[M+K]+ 555.52656 259.8
[M+H-H2O]+ 499.56066 241.7
[M+HCOO]- 561.56160 262.3
[M+CH3COO]- 575.57725 256.4
[M+Na-2H]- 537.53807 242.4
[M]+ 516.56285 253.4
[M]- 516.56395 253.4
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

No patent data available for this compound.