CID 56936084

6z-nonadecen-9-yne

Structural Information

Molecular Formula
C19H34
SMILES
CCCCCCCCCC#CC/C=C\CCCCC
InChI
InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16,18H2,1-2H3/b13-11-
InChIKey
OWAGRBFFVIWJKP-QBFSEMIESA-N
Compound name
(Z)-nonadec-6-en-9-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.26605 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.27333 165.4
[M+Na]+ 285.25527 171.0
[M-H]- 261.25877 163.5
[M+NH4]+ 280.29987 180.9
[M+K]+ 301.22921 165.7
[M+H-H2O]+ 245.26331 153.5
[M+HCOO]- 307.26425 180.3
[M+CH3COO]- 321.27990 208.1
[M+Na-2H]- 283.24072 166.1
[M]+ 262.26550 164.6
[M]- 262.26660 164.6
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.