CID 10782017

(1s,3s)-3-(benzyloxy)-1-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C17H23NO5
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-17(14(19)20)9-13(10-17)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
RLNGOJBRPDTXQM-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

321.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.164896 178.3
[M+Na]+ 344.146838 180.5
[M-H]- 320.150344 182.6
[M+NH4]+ 339.191443 186.4
[M+K]+ 360.120778 182.8
[M+H-H2O]+ 304.154880 166.4
[M+HCOO]- 366.155821 195.3
[M+CH3COO]- 380.171471 208.1
[M+Na-2H]- 342.132286 180.4
[M]+ 321.15707142 188.3
[M]- 321.15816858 188.3
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