CID 55299876

1315590-91-0

Structural Information

Molecular Formula
C6H13NO2
SMILES
CO[C@@H]1C[C@H](NC1)CO
InChI
InChI=1S/C6H13NO2/c1-9-6-2-5(4-8)7-3-6/h5-8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
JUWWYVCNZFCWNH-NTSWFWBYSA-N
Compound name
[(2S,4R)-4-methoxypyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.1
[M+Na]+ 154.083858 134.6
[M-H]- 130.087364 127.3
[M+NH4]+ 149.128463 149.2
[M+K]+ 170.057798 133.3
[M+H-H2O]+ 114.091900 122.7
[M+HCOO]- 176.092841 147.5
[M+CH3COO]- 190.108491 165.6
[M+Na-2H]- 152.069306 131.8
[M]+ 131.09409142 124.7
[M]- 131.09518858 124.7
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

patents stripe