CID 165674660

1824355-96-5

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)C1(CC(C1)C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO5/c1-13(2,3)20-11(18)15(7-10(8-15)9-17)16-12(19)21-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,19)
InChIKey
LNGGQVCXAMSBBX-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 173.2
[M+Na]+ 322.162498 176.2
[M-H]- 298.166004 176.1
[M+NH4]+ 317.207103 183.6
[M+K]+ 338.136438 180.0
[M+H-H2O]+ 282.170540 163.8
[M+HCOO]- 344.171481 189.6
[M+CH3COO]- 358.187131 207.1
[M+Na-2H]- 320.147946 175.6
[M]+ 299.17273142 185.5
[M]- 299.17382858 185.5
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.