CID 165919218

Rac-[(1r,3as,6as)-5-benzyl-octahydropyrrolo[3,4-c]pyrrol-1-yl]methanol

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1[C@H]2CN(C[C@H]2[C@@H](N1)CO)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2O/c17-10-14-13-9-16(8-12(13)6-15-14)7-11-4-2-1-3-5-11/h1-5,12-15,17H,6-10H2/t12-,13+,14-/m0/s1
InChIKey
DNYYNTAMNHOBFN-MJBXVCDLSA-N
Compound name
[(3R,3aS,6aS)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.5
[M+Na]+ 255.14678 161.2
[M-H]- 231.15028 157.3
[M+NH4]+ 250.19138 173.8
[M+K]+ 271.12072 156.3
[M+H-H2O]+ 215.15482 148.0
[M+HCOO]- 277.15576 171.6
[M+CH3COO]- 291.17141 165.9
[M+Na-2H]- 253.13223 155.7
[M]+ 232.15701 150.3
[M]- 232.15811 150.3
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.