CID 126821709

2-benzyl-3a,6a-dimethyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride

Structural Information

Molecular Formula
C15H22N2
SMILES
CC12CNCC1(CN(C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C15H22N2/c1-14-9-16-10-15(14,2)12-17(11-14)8-13-6-4-3-5-7-13/h3-7,16H,8-12H2,1-2H3
InChIKey
QYDLHLFKHURUHQ-UHFFFAOYSA-N
Compound name
5-benzyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 156.2
[M+Na]+ 253.16752 163.2
[M-H]- 229.17102 159.5
[M+NH4]+ 248.21212 179.1
[M+K]+ 269.14146 158.5
[M+H-H2O]+ 213.17556 148.7
[M+HCOO]- 275.17650 173.4
[M+CH3COO]- 289.19215 167.5
[M+Na-2H]- 251.15297 158.8
[M]+ 230.17775 151.9
[M]- 230.17885 151.9
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.