CID 22843627

98102-32-0

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C16H23NO4/c1-16(2,3)21-14(18)10-9-13(17)15(19)20-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3/t13-/m0/s1
InChIKey
NIMSPPYFNNQHCP-ZDUSSCGKSA-N
Compound name
1-O-benzyl 5-O-tert-butyl (2S)-2-aminopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

293.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 170.0
[M+Na]+ 316.15194 177.8
[M+NH4]+ 311.19654 175.0
[M+K]+ 332.12588 174.5
[M-H]- 292.15544 169.4
[M+Na-2H]- 314.13739 173.0
[M]+ 293.16217 170.6
[M]- 293.16327 170.6
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