CID 3084743

9-tricosyne

Structural Information

Molecular Formula
C23H44
SMILES
CCCCCCCCCCCCCC#CCCCCCCCC
InChI
InChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-17,19,21-23H2,1-2H3
InChIKey
LFCOTQSSVSUPCL-UHFFFAOYSA-N
Compound name
tricos-9-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

320.3443 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.351576 180.6
[M+Na]+ 343.333518 184.4
[M-H]- 319.337024 178.0
[M+NH4]+ 338.378123 194.1
[M+K]+ 359.307458 178.7
[M+H-H2O]+ 303.341560 168.0
[M+HCOO]- 365.342501 194.2
[M+CH3COO]- 379.358151 220.1
[M+Na-2H]- 341.318966 179.5
[M]+ 320.34375142 182.0
[M]- 320.34484858 182.0
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