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

18
Patents

290.18417 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19145 169.8
[M+Na]+ 313.17339 172.7
[M-H]- 289.17689 168.2
[M+NH4]+ 308.21799 184.3
[M+K]+ 329.14733 173.9
[M+H-H2O]+ 273.18143 164.4
[M+HCOO]- 335.18237 187.4
[M+CH3COO]- 349.19802 203.4
[M+Na-2H]- 311.15884 171.8
[M]+ 290.18362 172.5
[M]- 290.18472 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