CID 70126405

1169936-04-2

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NC1CC=C(C1)C(=O)OC

InChI

InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5,9H,6-7H2,1-4H3,(H,13,15)

InChIKey

BPVUUOLKMLXVJR-UHFFFAOYSA-N

Compound name

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.13141 Da
Monoisotopic Mass: 1.7
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]+	242.13869	155.8
[M+Na]+	264.12063	162.4
[M+NH4]+	259.16523	161.3
[M+K]+	280.09457	161.6
[M-H]-	240.12413	154.5
[M+Na-2H]-	262.10608	157.6
[M]+	241.13086	155.9
[M]-	241.13196	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe