CID 86606496

471296-73-8

Structural Information

Molecular Formula
C13H26N2O5
SMILES
CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O5/c1-12(2,3)19-10(17)14-7-9(8-16)15-11(18)20-13(4,5)6/h9,16H,7-8H2,1-6H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKey
HJLRHPPPZYAKFG-VIFPVBQESA-N
Compound name
tert-butyl N-[(2S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

290.18417 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.191446 169.8
[M+Na]+ 313.173388 172.7
[M-H]- 289.176894 168.2
[M+NH4]+ 308.217993 184.3
[M+K]+ 329.147328 173.9
[M+H-H2O]+ 273.181430 164.4
[M+HCOO]- 335.182371 187.4
[M+CH3COO]- 349.198021 203.4
[M+Na-2H]- 311.158836 171.8
[M]+ 290.18362142 172.5
[M]- 290.18471858 172.5
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