CID 208637

16874-06-9

Structural Information

Molecular Formula
C13H25NO4
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3/t9-/m0/s1
InChIKey
NTUGPDFKMVHCCJ-VIFPVBQESA-N
Compound name
ditert-butyl (2S)-2-aminopentanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1527
Patents

259.17834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.185616 162.6
[M+Na]+ 282.167558 167.1
[M-H]- 258.171064 162.1
[M+NH4]+ 277.212163 179.3
[M+K]+ 298.141498 168.0
[M+H-H2O]+ 242.175600 157.9
[M+HCOO]- 304.176541 180.0
[M+CH3COO]- 318.192191 199.3
[M+Na-2H]- 280.153006 163.7
[M]+ 259.17779142 165.9
[M]- 259.17888858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe