CID 56936098

9z-tritriacontene

Structural Information

Molecular Formula
C33H66
SMILES
CCCCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C33H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-33H2,1-2H3/b19-17-
InChIKey
BMSAQRLIFYCSRH-ZPHPHTNESA-N
Compound name
(Z)-tritriacont-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

462.51645 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.52373 236.8
[M+Na]+ 485.50567 233.2
[M-H]- 461.50917 231.8
[M+NH4]+ 480.55027 236.4
[M+K]+ 501.47961 225.2
[M+H-H2O]+ 445.51371 227.5
[M+HCOO]- 507.51465 251.3
[M+CH3COO]- 521.53030 246.3
[M+Na-2H]- 483.49112 229.6
[M]+ 462.51590 247.5
[M]- 462.51700 247.5
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