CID 15934823

111819-22-8

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C)(C)OC(=O)NCCCC(=O)NCC(=O)O
InChI
InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)12-6-4-5-8(14)13-7-9(15)16/h4-7H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKey
LUEZZQDZGSSHAO-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.1372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 160.4
[M+Na]+ 283.126418 163.9
[M-H]- 259.129924 158.8
[M+NH4]+ 278.171023 175.7
[M+K]+ 299.100358 164.3
[M+H-H2O]+ 243.134460 154.5
[M+HCOO]- 305.135401 180.4
[M+CH3COO]- 319.151051 197.5
[M+Na-2H]- 281.111866 162.2
[M]+ 260.13665142 162.3
[M]- 260.13774858 162.3
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

patents stripe