CID 5276345

Schembl13328929

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CCCCCNC(=O)[C@@H]1[C@H]([C@H](CN1CCCC)O)O
InChI
InChI=1S/C14H28N2O3/c1-3-5-7-8-15-14(19)12-13(18)11(17)10-16(12)9-6-4-2/h11-13,17-18H,3-10H2,1-2H3,(H,15,19)/t11-,12-,13-/m0/s1
InChIKey
YEILONRVZNDHIA-AVGNSLFASA-N
Compound name
(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.21 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 168.9
[M+Na]+ 295.19922 172.9
[M-H]- 271.20272 167.5
[M+NH4]+ 290.24382 184.4
[M+K]+ 311.17316 170.0
[M+H-H2O]+ 255.20726 162.2
[M+HCOO]- 317.20820 186.1
[M+CH3COO]- 331.22385 198.7
[M+Na-2H]- 293.18467 166.4
[M]+ 272.20945 168.4
[M]- 272.21055 168.4
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