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 156.0
[M+Na]+ 269.14718 161.5
[M-H]- 245.15068 154.9
[M+NH4]+ 264.19178 174.6
[M+K]+ 285.12112 158.9
[M+H-H2O]+ 229.15522 150.9
[M+HCOO]- 291.15616 172.7
[M+CH3COO]- 305.17181 189.6
[M+Na-2H]- 267.13263 155.4
[M]+ 246.15741 154.1
[M]- 246.15851 154.1
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.