CID 24443

Pantothenamide

Structural Information

Molecular Formula

C₉H₁₈N₂O₄

SMILES

CC(C)(CO)C(C(=O)NCCC(=O)N)O

InChI

InChI=1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15)

InChIKey

AMMYIDAXRNSZSJ-UHFFFAOYSA-N

Compound name

N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 141
Patents: 218.12666 Da
Monoisotopic Mass: -1.7
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]+	219.13394	150.1
[M+Na]+	241.11588	153.9
[M+NH4]+	236.16048	153.5
[M+K]+	257.08982	153.7
[M-H]-	217.11938	145.8
[M+Na-2H]-	239.10133	148.8
[M]+	218.12611	148.6
[M]-	218.12721	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe