CID 4171147

186202-73-3

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CN(CC2C1)CC3=CC=CC=C3
InChI
InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-10-19(11-16(15)13-20)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChIKey
WUEVXPVJRUPJLC-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

302.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 173.9
[M+Na]+ 325.18865 182.8
[M+NH4]+ 320.23325 181.0
[M+K]+ 341.16259 181.1
[M-H]- 301.19215 175.0
[M+Na-2H]- 323.17410 176.9
[M]+ 302.19888 175.2
[M]- 302.19998 175.2
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