CID 56936096

9z-pentatriacontene

Structural Information

Molecular Formula
C35H70
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3/b19-17-
InChIKey
AQGWMPFCRUALJK-ZPHPHTNESA-N
Compound name
(Z)-pentatriacont-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.54776 Da
Monoisotopic Mass

18.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.55504 245.0
[M+Na]+ 513.53698 240.6
[M-H]- 489.54048 225.9
[M+NH4]+ 508.58158 243.4
[M+K]+ 529.51092 232.1
[M+H-H2O]+ 473.54502 235.3
[M+HCOO]- 535.54596 257.7
[M+CH3COO]- 549.56161 252.0
[M+Na-2H]- 511.52243 236.8
[M]+ 490.54721 249.4
[M]- 490.54831 249.4
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.