CID 71749551

83602-43-1

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]+ 256.227106 169.3
[M+Na]+ 278.209048 171.7
[M-H]- 254.212554 168.3
[M+NH4]+ 273.253653 185.9
[M+K]+ 294.182988 170.7
[M+H-H2O]+ 238.217090 163.0
[M+HCOO]- 300.218031 188.1
[M+CH3COO]- 314.233681 204.0
[M+Na-2H]- 276.194496 166.7
[M]+ 255.21928142 172.0
[M]- 255.22037858 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.