CID 134400574

4-{[(1s)-1-carbamoyl-2-methylpropyl]carbamoyl}butanoic acid

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)CCCC(=O)O
InChI
InChI=1S/C10H18N2O4/c1-6(2)9(10(11)16)12-7(13)4-3-5-8(14)15/h6,9H,3-5H2,1-2H3,(H2,11,16)(H,12,13)(H,14,15)/t9-/m0/s1
InChIKey
LUFYPPYRGKVSBM-VIFPVBQESA-N
Compound name
5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

230.12666 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 155.2
[M+Na]+ 253.115878 158.2
[M-H]- 229.119384 153.0
[M+NH4]+ 248.160483 171.0
[M+K]+ 269.089818 158.4
[M+H-H2O]+ 213.123920 149.0
[M+HCOO]- 275.124861 174.1
[M+CH3COO]- 289.140511 195.4
[M+Na-2H]- 251.101326 152.6
[M]+ 230.12611142 153.6
[M]- 230.12720858 153.6
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

patents stripe