CID 5276346

Schembl13328934

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CCCCCNC(=O)[C@@H]1[C@H]([C@H](CN1)O)O
InChI
InChI=1S/C10H20N2O3/c1-2-3-4-5-11-10(15)8-9(14)7(13)6-12-8/h7-9,12-14H,2-6H2,1H3,(H,11,15)/t7-,8-,9-/m0/s1
InChIKey
PDRDNOXBCLQZAJ-CIUDSAMLSA-N
Compound name
(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

216.1474 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 151.9
[M+Na]+ 239.13662 156.2
[M-H]- 215.14012 149.4
[M+NH4]+ 234.18122 168.5
[M+K]+ 255.11056 153.3
[M+H-H2O]+ 199.14466 145.7
[M+HCOO]- 261.14560 168.8
[M+CH3COO]- 275.16125 183.1
[M+Na-2H]- 237.12207 151.5
[M]+ 216.14685 147.6
[M]- 216.14795 147.6
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.