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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 158.8
[M+Na]+ 267.13152 162.4
[M+NH4]+ 262.17612 161.9
[M+K]+ 283.10546 161.6
[M-H]- 243.13502 154.9
[M+Na-2H]- 265.11697 156.8
[M]+ 244.14175 157.3
[M]- 244.14285 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.