CID 5365075

Muscalure

Structural Information

Molecular Formula
C23H46
SMILES
CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-
InChIKey
IGOWHGRNPLFNDJ-ZPHPHTNESA-N
Compound name
(Z)-tricos-9-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

19
References

5171
Patents

322.35995 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.367226 194.1
[M+Na]+ 345.349168 194.6
[M-H]- 321.352674 191.2
[M+NH4]+ 340.393773 208.7
[M+K]+ 361.323108 189.4
[M+H-H2O]+ 305.357210 186.7
[M+HCOO]- 367.358151 212.4
[M+CH3COO]- 381.373801 217.1
[M+Na-2H]- 343.334616 192.1
[M]+ 322.35940142 201.1
[M]- 322.36049858 201.1
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