CID 357720

Benzyl 2-{[(tert-butoxy)carbonyl]amino}acetate

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)(C)OC(=O)NCC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-12(16)18-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKey
LYAICJLTIXLJAQ-UHFFFAOYSA-N
Compound name
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

265.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.9
[M+Na]+ 288.12062 166.9
[M-H]- 264.12412 165.1
[M+NH4]+ 283.16522 178.1
[M+K]+ 304.09456 166.2
[M+H-H2O]+ 248.12866 155.2
[M+HCOO]- 310.12960 183.7
[M+CH3COO]- 324.14525 197.0
[M+Na-2H]- 286.10607 166.2
[M]+ 265.13085 165.2
[M]- 265.13195 165.2
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.