CID 57419605

569667-93-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C(=O)N(C)OC

InChI

InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-7-6-9(8-14)10(15)13(4)17-5/h9H,6-8H2,1-5H3

InChIKey

LAAAMOQBIKIHLV-UHFFFAOYSA-N

Compound name

tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 258.15796 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]+	259.165236	160.3
[M+Na]+	281.147178	165.0
[M-H]-	257.150684	163.5
[M+NH4]+	276.191783	178.1
[M+K]+	297.121118	166.7
[M+H-H2O]+	241.155220	154.0
[M+HCOO]-	303.156161	179.7
[M+CH3COO]-	317.171811	199.1
[M+Na-2H]-	279.132626	160.6
[M]+	258.15741142	162.9
[M]-	258.15850858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe