CID 54595550

2-methyl-1-phenyl-octahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C13H18N2
SMILES
CN1CC2CNCC2C1C3=CC=CC=C3
InChI
InChI=1S/C13H18N2/c1-15-9-11-7-14-8-12(11)13(15)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKey
LEIAGDQCKRSLTQ-UHFFFAOYSA-N
Compound name
5-methyl-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 147.9
[M+Na]+ 225.13622 154.6
[M-H]- 201.13972 151.2
[M+NH4]+ 220.18082 168.2
[M+K]+ 241.11016 150.3
[M+H-H2O]+ 185.14426 140.4
[M+HCOO]- 247.14520 165.6
[M+CH3COO]- 261.16085 159.5
[M+Na-2H]- 223.12167 148.8
[M]+ 202.14645 142.7
[M]- 202.14755 142.7
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.