CID 21306970

820971-67-3

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(=O)N(C)OC

InChI

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-8(7-13)9(14)12(4)16-5/h8H,6-7H2,1-5H3

InChIKey

RPCWHOFDACENQM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 370
Patents: 244.1423 Da
Monoisotopic Mass: 0.4
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]+	245.149576	158.6
[M+Na]+	267.131518	162.1
[M-H]-	243.135024	161.7
[M+NH4]+	262.176123	168.6
[M+K]+	283.105458	167.3
[M+H-H2O]+	227.139560	146.5
[M+HCOO]-	289.140501	176.8
[M+CH3COO]-	303.156151	200.9
[M+Na-2H]-	265.116966	159.7
[M]+	244.14175142	170.7
[M]-	244.14284858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe