CID 71749551

Dtxsid10857880

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)OC)NC
InChI
InChI=1S/C15H29NO2/c1-6-8-10-12(3)15(18-5)14(16-4)13(17)11-9-7-2/h6,8,12,14-16H,7,9-11H2,1-5H3/b8-6+/t12-,14?,15-/m1/s1
InChIKey
PJHUXIWNPJGTRM-LIHLPKTNSA-N
Compound name
(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.22711 167.3
[M+Na]+ 278.20905 173.5
[M+NH4]+ 273.25365 172.5
[M+K]+ 294.18299 169.0
[M-H]- 254.21255 165.4
[M+Na-2H]- 276.19450 167.1
[M]+ 255.21928 167.1
[M]- 255.22038 167.1
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.