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: 108
Patents: 273.194 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.201276	167.6
[M+Na]+	296.183218	171.9
[M-H]-	272.186724	167.4
[M+NH4]+	291.227823	184.1
[M+K]+	312.157158	172.3
[M+H-H2O]+	256.191260	162.6
[M+HCOO]-	318.192201	186.3
[M+CH3COO]-	332.207851	202.0
[M+Na-2H]-	294.168666	170.4
[M]+	273.19345142	173.0
[M]-	273.19454858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe