CID 7269469

1791-13-5

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-8(13)10(15)17-12(4,5)6/h8H,7,13H2,1-6H3/t8-/m0/s1
InChIKey
FNCGNFXGKHSMKJ-QMMMGPOBSA-N
Compound name
ditert-butyl (2S)-2-aminobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

777
Patents

245.1627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.1
[M+Na]+ 268.15192 163.5
[M+NH4]+ 263.19652 162.2
[M+K]+ 284.12586 162.8
[M-H]- 244.15542 154.0
[M+Na-2H]- 266.13737 157.7
[M]+ 245.16215 157.3
[M]- 245.16325 157.3
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