CID 165361675

1781224-78-9

Structural Information

Molecular Formula
C25H48N2O
SMILES
CCCCCCCC/C=C\CCCCCCCCNC(=O)CCN1CCCC1
InChI
InChI=1S/C25H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)20-24-27-22-18-19-23-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-
InChIKey
YIWZDKNDQDPCHI-KTKRTIGZSA-N
Compound name
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.37668 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.38396 210.7
[M+Na]+ 415.36590 208.5
[M-H]- 391.36940 208.8
[M+NH4]+ 410.41050 221.8
[M+K]+ 431.33984 202.9
[M+H-H2O]+ 375.37394 200.8
[M+HCOO]- 437.37488 226.9
[M+CH3COO]- 451.39053 227.3
[M+Na-2H]- 413.35135 205.2
[M]+ 392.37613 213.1
[M]- 392.37723 213.1
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.