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]+ 233.164836 155.5
[M+Na]+ 255.146778 161.2
[M-H]- 231.150284 157.3
[M+NH4]+ 250.191383 173.8
[M+K]+ 271.120718 156.3
[M+H-H2O]+ 215.154820 148.0
[M+HCOO]- 277.155761 171.6
[M+CH3COO]- 291.171411 165.9
[M+Na-2H]- 253.132226 155.7
[M]+ 232.15701142 150.3
[M]- 232.15810858 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.