CID 488029

Vrc3375

Structural Information

Molecular Formula
C17H30N2O5
SMILES
CCCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30N2O5/c1-5-6-8-12(11-14(20)18-23)15(21)19-10-7-9-13(19)16(22)24-17(2,3)4/h12-13,23H,5-11H2,1-4H3,(H,18,20)/t12-,13+/m1/s1
InChIKey
XNOOIEVKOZAJEO-OLZOCXBDSA-N
Compound name
tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

342.21548 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22276 184.8
[M+Na]+ 365.20470 186.3
[M-H]- 341.20820 184.4
[M+NH4]+ 360.24930 197.4
[M+K]+ 381.17864 185.8
[M+H-H2O]+ 325.21274 178.2
[M+HCOO]- 387.21368 198.9
[M+CH3COO]- 401.22933 211.3
[M+Na-2H]- 363.19015 180.8
[M]+ 342.21493 185.5
[M]- 342.21603 185.5
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