CID 3018601

Ns00060964

Structural Information

Molecular Formula
C16H30O
SMILES
CCC(C)(CCCC=C(C)CCC=CC)OC
InChI
InChI=1S/C16H30O/c1-6-8-9-12-15(3)13-10-11-14-16(4,7-2)17-5/h6,8,13H,7,9-12,14H2,1-5H3
InChIKey
WZXXUCGWWVCQNM-UHFFFAOYSA-N
Compound name
11-methoxy-6,11-dimethyltrideca-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.22966 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.236936 164.8
[M+Na]+ 261.218878 169.0
[M-H]- 237.222384 163.9
[M+NH4]+ 256.263483 183.0
[M+K]+ 277.192818 166.3
[M+H-H2O]+ 221.226920 159.6
[M+HCOO]- 283.227861 183.5
[M+CH3COO]- 297.243511 197.4
[M+Na-2H]- 259.204326 166.1
[M]+ 238.22911142 168.8
[M]- 238.23020858 168.8
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.