CID 154851766

2741641-24-5

Structural Information

Molecular Formula
C7H15NO3
SMILES
CO[C@@H]1CN[C@H]([C@@H]1OC)CO
InChI
InChI=1S/C7H15NO3/c1-10-6-3-8-5(4-9)7(6)11-2/h5-9H,3-4H2,1-2H3/t5-,6+,7-/m0/s1
InChIKey
MJFTTZPIFUDFEE-XVMARJQXSA-N
Compound name
[(2S,3S,4R)-3,4-dimethoxypyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 134.9
[M+Na]+ 184.094418 141.8
[M-H]- 160.097924 134.2
[M+NH4]+ 179.139023 155.0
[M+K]+ 200.068358 140.6
[M+H-H2O]+ 144.102460 129.4
[M+HCOO]- 206.103401 154.1
[M+CH3COO]- 220.119051 171.9
[M+Na-2H]- 182.079866 137.4
[M]+ 161.10465142 133.6
[M]- 161.10574858 133.6
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.