CID 370505

2-ethyl-5-(12-tridecenyl)pyrrolidine

Structural Information

Molecular Formula
C19H37N
SMILES
CCC1CCC(N1)CCCCCCCCCCCC=C
InChI
InChI=1S/C19H37N/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-17-16-18(4-2)20-19/h3,18-20H,1,4-17H2,2H3
InChIKey
PXXOCCKIKHYKDO-UHFFFAOYSA-N
Compound name
2-ethyl-5-tridec-12-enylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.2926 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.29988 178.7
[M+Na]+ 302.28182 180.4
[M-H]- 278.28532 176.9
[M+NH4]+ 297.32642 194.5
[M+K]+ 318.25576 175.1
[M+H-H2O]+ 262.28986 170.9
[M+HCOO]- 324.29080 195.0
[M+CH3COO]- 338.30645 202.7
[M+Na-2H]- 300.26727 175.9
[M]+ 279.29205 178.3
[M]- 279.29315 178.3
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.