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]+ 300.18056 173.2
[M+Na]+ 322.16250 176.2
[M-H]- 298.16600 176.1
[M+NH4]+ 317.20710 183.6
[M+K]+ 338.13644 180.0
[M+H-H2O]+ 282.17054 163.8
[M+HCOO]- 344.17148 189.6
[M+CH3COO]- 358.18713 207.1
[M+Na-2H]- 320.14795 175.6
[M]+ 299.17273 185.5
[M]- 299.17383 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.