CID 15186003

149876-86-8

Structural Information

Molecular Formula
C13H27N3O4
SMILES
CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H27N3O4/c1-12(2,3)19-10(17)15-7-9(14)8-16-11(18)20-13(4,5)6/h9H,7-8,14H2,1-6H3,(H,15,17)(H,16,18)
InChIKey
QYVFEFFJTQKDTK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

289.20016 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.20744 170.9
[M+Na]+ 312.18938 173.5
[M-H]- 288.19288 170.2
[M+NH4]+ 307.23398 185.6
[M+K]+ 328.16332 174.7
[M+H-H2O]+ 272.19742 165.0
[M+HCOO]- 334.19836 190.2
[M+CH3COO]- 348.21401 208.4
[M+Na-2H]- 310.17483 172.4
[M]+ 289.19961 172.1
[M]- 289.20071 172.2
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