CID 165829656

4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid

Structural Information

Molecular Formula
C17H25NO5
SMILES
CC(C)(C)OC(=O)NC(C)(CC(=O)O)COCC1=CC=CC=C1
InChI
InChI=1S/C17H25NO5/c1-16(2,3)23-15(21)18-17(4,10-14(19)20)12-22-11-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKey
VSMUWIHZRZBNTH-UHFFFAOYSA-N
Compound name
3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.180556 177.1
[M+Na]+ 346.162498 180.4
[M-H]- 322.166004 178.5
[M+NH4]+ 341.207103 190.1
[M+K]+ 362.136438 179.5
[M+H-H2O]+ 306.170540 170.6
[M+HCOO]- 368.171481 194.9
[M+CH3COO]- 382.187131 206.8
[M+Na-2H]- 344.147946 180.8
[M]+ 323.17273142 180.6
[M]- 323.17382858 180.6
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

No patent data available for this compound.