CID 97545976

156205-84-4

Structural Information

Molecular Formula
C11H22N2O4
SMILES
COCCNC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O
InChI
InChI=1S/C11H22N2O4/c1-17-5-3-12-6-7-10(15)11(16)9-8(14)2-4-13(7)9/h7-12,14-16H,2-6H2,1H3/t7-,8+,9-,10-,11-/m1/s1
InChIKey
VQZFDAFKPHSWFZ-RCZSTQMZSA-N
Compound name
(1R,2R,3R,7S,8R)-3-[(2-methoxyethylamino)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 155.9
[M+Na]+ 269.14718 160.8
[M+NH4]+ 264.19178 161.4
[M+K]+ 285.12112 161.6
[M-H]- 245.15068 153.8
[M+Na-2H]- 267.13263 153.9
[M]+ 246.15741 155.2
[M]- 246.15851 155.2
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.