CID 361060

N-nonanoyl loline

Structural Information

Molecular Formula
C17H30N2O2
SMILES
CCCCCCCCC(=O)N(C)C1C2CN3C1C(O2)CC3
InChI
InChI=1S/C17H30N2O2/c1-3-4-5-6-7-8-9-15(20)18(2)16-14-12-19-11-10-13(21-14)17(16)19/h13-14,16-17H,3-12H2,1-2H3
InChIKey
PMHCOLWLJNQPMD-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.23074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.23802 178.9
[M+Na]+ 317.21996 182.2
[M-H]- 293.22346 181.3
[M+NH4]+ 312.26456 199.9
[M+K]+ 333.19390 181.4
[M+H-H2O]+ 277.22800 173.5
[M+HCOO]- 339.22894 195.3
[M+CH3COO]- 353.24459 211.3
[M+Na-2H]- 315.20541 176.3
[M]+ 294.23019 183.0
[M]- 294.23129 183.0
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.