CID 200921

Valeramide, n-butyl-2-propyl-

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCCCNC(=O)C(CCC)CCC

InChI

InChI=1S/C12H25NO/c1-4-7-10-13-12(14)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3,(H,13,14)

InChIKey

XENQEFYNRCVZDN-UHFFFAOYSA-N

Compound name

N-butyl-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.19362 Da
Monoisotopic Mass: 3.6
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]+	200.200896	153.6
[M+Na]+	222.182838	157.4
[M-H]-	198.186344	153.0
[M+NH4]+	217.227443	172.8
[M+K]+	238.156778	156.4
[M+H-H2O]+	182.190880	147.8
[M+HCOO]-	244.191821	174.9
[M+CH3COO]-	258.207471	192.2
[M+Na-2H]-	220.168286	155.1
[M]+	199.19307142	155.7
[M]-	199.19416858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe