CID 105452175

1783743-14-5

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N(C)C1CC(=O)C1

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7H,5-6H2,1-4H3

InChIKey

NZOCATWNHWABFY-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 199.12085 Da
Monoisotopic Mass: 0.6
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]+	200.12813	145.3
[M+Na]+	222.11007	149.8
[M-H]-	198.11357	150.1
[M+NH4]+	217.15467	158.6
[M+K]+	238.08401	154.2
[M+H-H2O]+	182.11811	134.6
[M+HCOO]-	244.11905	165.9
[M+CH3COO]-	258.13470	193.1
[M+Na-2H]-	220.09552	148.1
[M]+	199.12030	155.9
[M]-	199.12140	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe