CID 3040954

N-methyl-n-(2-propylpentyl)acetamide

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCCC(CCC)CN(C)C(=O)C

InChI

InChI=1S/C11H23NO/c1-5-7-11(8-6-2)9-12(4)10(3)13/h11H,5-9H2,1-4H3

InChIKey

PDOAUJDOLCJNBR-UHFFFAOYSA-N

Compound name

N-methyl-N-(2-propylpentyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.17796 Da
Monoisotopic Mass: 2.9
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	148.6
[M+Na]+	208.167178	153.1
[M-H]-	184.170684	149.7
[M+NH4]+	203.211783	169.0
[M+K]+	224.141118	153.7
[M+H-H2O]+	168.175220	142.9
[M+HCOO]-	230.176161	170.8
[M+CH3COO]-	244.191811	192.8
[M+Na-2H]-	206.152626	149.9
[M]+	185.17741142	151.6
[M]-	185.17850858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.