CID 132533225

1894176-80-7

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O6/c1-18(2,3)25-17(24)19-10-6-9-13(19)16(23)26-20-14(21)11-7-4-5-8-12(11)15(20)22/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKey
MHUZLKBWHOQGIW-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

360.13214 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 182.6
[M+Na]+ 383.12136 189.2
[M-H]- 359.12486 188.1
[M+NH4]+ 378.16596 197.1
[M+K]+ 399.09530 187.8
[M+H-H2O]+ 343.12940 176.2
[M+HCOO]- 405.13034 198.3
[M+CH3COO]- 419.14599 211.7
[M+Na-2H]- 381.10681 180.5
[M]+ 360.13159 185.6
[M]- 360.13269 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe