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]+ 203.154276 147.9
[M+Na]+ 225.136218 154.6
[M-H]- 201.139724 151.2
[M+NH4]+ 220.180823 168.2
[M+K]+ 241.110158 150.3
[M+H-H2O]+ 185.144260 140.4
[M+HCOO]- 247.145201 165.6
[M+CH3COO]- 261.160851 159.5
[M+Na-2H]- 223.121666 148.8
[M]+ 202.14645142 142.7
[M]- 202.14754858 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.