CID 70909

N,n-dibutylpropanamide

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCCCN(CCCC)C(=O)CC

InChI

InChI=1S/C11H23NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3

InChIKey

XAROAZKXMDRYAF-UHFFFAOYSA-N

Compound name

N,N-dibutylpropanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 542
Patents: 185.17796 Da
Monoisotopic Mass: 2.7
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]+	186.185236	148.3
[M+Na]+	208.167178	153.0
[M-H]-	184.170684	149.3
[M+NH4]+	203.211783	168.8
[M+K]+	224.141118	153.1
[M+H-H2O]+	168.175220	142.5
[M+HCOO]-	230.176161	171.5
[M+CH3COO]-	244.191811	191.9
[M+Na-2H]-	206.152626	150.9
[M]+	185.17741142	152.0
[M]-	185.17850858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe