CID 11687095

42116-55-2

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

CC(C)(C)OC(=O)NCCC(=O)OC

InChI

InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-5-7(11)13-4/h5-6H2,1-4H3,(H,10,12)

InChIKey

GUYURTCMYDHGKH-UHFFFAOYSA-N

Compound name

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 203.11575 Da
Monoisotopic Mass: 0.8
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]+	204.12303	146.2
[M+Na]+	226.10497	153.1
[M+NH4]+	221.14957	151.3
[M+K]+	242.07891	150.7
[M-H]-	202.10847	143.2
[M+Na-2H]-	224.09042	147.3
[M]+	203.11520	145.9
[M]-	203.11630	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe