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

45
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.1
[M+Na]+ 154.08386 134.6
[M-H]- 130.08736 127.3
[M+NH4]+ 149.12846 149.2
[M+K]+ 170.05780 133.3
[M+H-H2O]+ 114.09190 122.7
[M+HCOO]- 176.09284 147.5
[M+CH3COO]- 190.10849 165.6
[M+Na-2H]- 152.06931 131.8
[M]+ 131.09409 124.7
[M]- 131.09519 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