CID 12958527

2-phenyl-octahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C12H16N2
SMILES
C1C2CN(CC2CN1)C3=CC=CC=C3
InChI
InChI=1S/C12H16N2/c1-2-4-12(5-3-1)14-8-10-6-13-7-11(10)9-14/h1-5,10-11,13H,6-9H2
InChIKey
ZPKIUZZZFIZELT-UHFFFAOYSA-N
Compound name
5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

188.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 143.1
[M+Na]+ 211.12057 149.3
[M-H]- 187.12407 146.1
[M+NH4]+ 206.16517 163.6
[M+K]+ 227.09451 145.2
[M+H-H2O]+ 171.12861 135.4
[M+HCOO]- 233.12955 161.2
[M+CH3COO]- 247.14520 154.8
[M+Na-2H]- 209.10602 145.2
[M]+ 188.13080 137.2
[M]- 188.13190 137.2
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