CID 106344058

5-[(1-carbamoyl-2-methylpropyl)carbamoyl]pentanoic acid

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC(C)C(C(=O)N)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C11H20N2O4/c1-7(2)10(11(12)17)13-8(14)5-3-4-6-9(15)16/h7,10H,3-6H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)

InChIKey

ONFYLYRXZCECCD-UHFFFAOYSA-N

Compound name

6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-oxohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.1423 Da
Monoisotopic Mass: -0.5
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]+	245.149576	159.8
[M+Na]+	267.131518	162.3
[M-H]-	243.135024	157.4
[M+NH4]+	262.176123	175.0
[M+K]+	283.105458	162.3
[M+H-H2O]+	227.139560	153.4
[M+HCOO]-	289.140501	178.3
[M+CH3COO]-	303.156151	198.4
[M+Na-2H]-	265.116966	156.7
[M]+	244.14175142	158.6
[M]-	244.14284858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.