CID 247220

1-hexadecanoylpyrrolidine

Structural Information

Molecular Formula

C₂₀H₃₉NO

SMILES

CCCCCCCCCCCCCCCC(=O)N1CCCC1

InChI

InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3

InChIKey

ULDNZNZTSYZQKK-UHFFFAOYSA-N

Compound name

1-pyrrolidin-1-ylhexadecan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 22
Patents: 309.30316 Da
Monoisotopic Mass: 7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.31044	187.5
[M+Na]+	332.29238	188.1
[M-H]-	308.29588	186.6
[M+NH4]+	327.33698	202.4
[M+K]+	348.26632	184.3
[M+H-H2O]+	292.30042	178.9
[M+HCOO]-	354.30136	204.2
[M+CH3COO]-	368.31701	209.2
[M+Na-2H]-	330.27783	184.0
[M]+	309.30261	189.7
[M]-	309.30371	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe