CID 3063137

T-butyloxycarbonyl-seryl-prolinal

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C=O
InChI
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-10(8-17)11(18)15-6-4-5-9(15)7-16/h7,9-10,17H,4-6,8H2,1-3H3,(H,14,19)/t9-,10-/m0/s1
InChIKey
KLYLXGWOTSHUQO-UWVGGRQHSA-N
Compound name
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

286.15286 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 166.3
[M+Na]+ 309.14208 170.2
[M+NH4]+ 304.18668 169.3
[M+K]+ 325.11602 171.4
[M-H]- 285.14558 162.4
[M+Na-2H]- 307.12753 165.1
[M]+ 286.15231 164.9
[M]- 286.15341 164.9
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