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

literature stripe

Patent stripe

patents stripe