CID 56936094

9z-heptatriacontene

Structural Information

Molecular Formula
C37H74
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C37H74/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/h17,19H,3-16,18,20-37H2,1-2H3/b19-17-
InChIKey
RRHTUONHMJBXKV-ZPHPHTNESA-N
Compound name
(Z)-heptatriacont-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.57904 Da
Monoisotopic Mass

19.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.58632 255.2
[M+Na]+ 541.56826 260.8
[M-H]- 517.57176 232.1
[M+NH4]+ 536.61286 250.3
[M+K]+ 557.54220 262.1
[M+H-H2O]+ 501.57630 243.1
[M+HCOO]- 563.57724 263.9
[M+CH3COO]- 577.59289 257.7
[M+Na-2H]- 539.55371 243.9
[M]+ 518.57849 256.1
[M]- 518.57959 256.1
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.