CID 10398920

145080-95-1

Structural Information

Molecular Formula

C₁₀H₁₅NO₅

SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N=C=O

InChI

InChI=1S/C10H15NO5/c1-3-15-9(13)6-5-8(11-7-12)10(14)16-4-2/h8H,3-6H2,1-2H3/t8-/m0/s1

InChIKey

TZTLQVZEVNEAQD-QMMMGPOBSA-N

Compound name

diethyl (2S)-2-isocyanatopentanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 229.09502 Da
Monoisotopic Mass: 2.0
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]+	230.10230	151.5
[M+Na]+	252.08424	158.3
[M+NH4]+	247.12884	155.7
[M+K]+	268.05818	155.3
[M-H]-	228.08774	148.4
[M+Na-2H]-	250.06969	152.0
[M]+	229.09447	150.9
[M]-	229.09557	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe