CID 10945622

128988-04-5

Structural Information

Molecular Formula
C14H27NO4
SMILES
CC(C)(C)OC(=O)CCNCCC(=O)OC(C)(C)C
InChI
InChI=1S/C14H27NO4/c1-13(2,3)18-11(16)7-9-15-10-8-12(17)19-14(4,5)6/h15H,7-10H2,1-6H3
InChIKey
KCTOWZYKZDFZMQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

273.194 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20128 167.6
[M+Na]+ 296.18322 171.9
[M-H]- 272.18672 167.4
[M+NH4]+ 291.22782 184.1
[M+K]+ 312.15716 172.3
[M+H-H2O]+ 256.19126 162.6
[M+HCOO]- 318.19220 186.3
[M+CH3COO]- 332.20785 202.0
[M+Na-2H]- 294.16867 170.4
[M]+ 273.19345 173.0
[M]- 273.19455 173.0
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