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]+ 247.165236 156.0
[M+Na]+ 269.147178 161.5
[M-H]- 245.150684 154.9
[M+NH4]+ 264.191783 174.6
[M+K]+ 285.121118 158.9
[M+H-H2O]+ 229.155220 150.9
[M+HCOO]- 291.156161 172.7
[M+CH3COO]- 305.171811 189.6
[M+Na-2H]- 267.132626 155.4
[M]+ 246.15741142 154.1
[M]- 246.15850858 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.