CID 155340601

2248257-80-7

Structural Information

Molecular Formula
C17H18N2O6
SMILES
CC(C)(C)OC(=O)N1CCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N2O6/c1-17(2,3)24-16(23)18-9-8-12(18)15(22)25-19-13(20)10-6-4-5-7-11(10)14(19)21/h4-7,12H,8-9H2,1-3H3
InChIKey
HNFBLZACBBDTTQ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) azetidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

346.1165 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 176.9
[M+Na]+ 369.10572 182.3
[M-H]- 345.10922 181.7
[M+NH4]+ 364.15032 183.6
[M+K]+ 385.07966 184.2
[M+H-H2O]+ 329.11376 164.6
[M+HCOO]- 391.11470 191.5
[M+CH3COO]- 405.13035 212.9
[M+Na-2H]- 367.09117 176.5
[M]+ 346.11595 189.3
[M]- 346.11705 189.3
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