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 159.8
[M+Na]+ 267.13152 162.3
[M-H]- 243.13502 157.4
[M+NH4]+ 262.17612 175.0
[M+K]+ 283.10546 162.3
[M+H-H2O]+ 227.13956 153.4
[M+HCOO]- 289.14050 178.3
[M+CH3COO]- 303.15615 198.4
[M+Na-2H]- 265.11697 156.7
[M]+ 244.14175 158.6
[M]- 244.14285 158.6
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.