CID 14784825

(3s,4s)-3,4-dimethoxypyrrolidine;hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CO[C@H]1CNC[C@@H]1OC
InChI
InChI=1S/C6H13NO2/c1-8-5-3-7-4-6(5)9-2/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey
CROOPTGQTSCWCM-WDSKDSINSA-N
Compound name
(3S,4S)-3,4-dimethoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

131.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.3
[M+Na]+ 154.08386 134.2
[M-H]- 130.08736 127.9
[M+NH4]+ 149.12846 149.1
[M+K]+ 170.05780 133.8
[M+H-H2O]+ 114.09190 121.7
[M+HCOO]- 176.09284 148.2
[M+CH3COO]- 190.10849 168.2
[M+Na-2H]- 152.06931 131.5
[M]+ 131.09409 125.8
[M]- 131.09519 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe