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]+ 266.138676 161.9
[M+Na]+ 288.120618 166.9
[M-H]- 264.124124 165.1
[M+NH4]+ 283.165223 178.1
[M+K]+ 304.094558 166.2
[M+H-H2O]+ 248.128660 155.2
[M+HCOO]- 310.129601 183.7
[M+CH3COO]- 324.145251 197.0
[M+Na-2H]- 286.106066 166.2
[M]+ 265.13085142 165.2
[M]- 265.13194858 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

literature stripe

Patent stripe

patents stripe