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 169.3
[M+Na]+ 278.20905 171.7
[M-H]- 254.21255 168.3
[M+NH4]+ 273.25365 185.9
[M+K]+ 294.18299 170.7
[M+H-H2O]+ 238.21709 163.0
[M+HCOO]- 300.21803 188.1
[M+CH3COO]- 314.23368 204.0
[M+Na-2H]- 276.19450 166.7
[M]+ 255.21928 172.0
[M]- 255.22038 172.0
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.