CID 51341844

Z-d-dbu-ome hcl

Structural Information

Molecular Formula
C13H18N2O4
SMILES
COC(=O)C[C@@H](CN)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H18N2O4/c1-18-12(16)7-11(8-14)15-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,17)/t11-/m0/s1
InChIKey
TWGOBVDBXJWKML-NSHDSACASA-N
Compound name
methyl (3S)-4-amino-3-(phenylmethoxycarbonylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.12665 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 162.0
[M+Na]+ 289.11587 169.4
[M+NH4]+ 284.16047 167.0
[M+K]+ 305.08981 165.8
[M-H]- 265.11937 162.2
[M+Na-2H]- 287.10132 165.3
[M]+ 266.12610 162.5
[M]- 266.12720 162.5
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.