CID 138991037

2309431-70-5

Structural Information

Molecular Formula
C12H22N2O5
SMILES
CCC[C@H](C(=O)O)NC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O5/c1-5-6-8(10(16)17)14-9(15)7-13-11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15)(H,16,17)/t8-/m1/s1
InChIKey
JNNJOMPUVLLTKR-MRVPVSSYSA-N
Compound name
(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15286 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.160136 164.9
[M+Na]+ 297.142078 167.8
[M-H]- 273.145584 163.2
[M+NH4]+ 292.186683 179.6
[M+K]+ 313.116018 168.5
[M+H-H2O]+ 257.150120 159.0
[M+HCOO]- 319.151061 183.6
[M+CH3COO]- 333.166711 201.4
[M+Na-2H]- 295.127526 165.0
[M]+ 274.15231142 166.5
[M]- 274.15340858 166.5
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.