CID 14845245

131545-52-3

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)CNCCC(=O)OC
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-6-5-8(12)14-4/h11H,5-7H2,1-4H3
InChIKey
PWUQRVBCAROKBZ-UHFFFAOYSA-N
Compound name
methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

217.13141 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.5
[M+Na]+ 240.12063 155.9
[M-H]- 216.12413 150.6
[M+NH4]+ 235.16523 168.9
[M+K]+ 256.09457 156.7
[M+H-H2O]+ 200.12867 145.3
[M+HCOO]- 262.12961 171.9
[M+CH3COO]- 276.14526 190.2
[M+Na-2H]- 238.10608 154.1
[M]+ 217.13086 154.9
[M]- 217.13196 154.9
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