CID 73977918

1523617-99-3

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC1(CC(=O)C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H17NO3/c1-9(2,3)14-8(13)11-10(4)5-7(12)6-10/h5-6H2,1-4H3,(H,11,13)

InChIKey

DPLRVTIHVYBKPN-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-methyl-3-oxocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	146.3
[M+Na]+	222.11007	151.5
[M-H]-	198.11357	150.0
[M+NH4]+	217.15467	161.0
[M+K]+	238.08401	154.6
[M+H-H2O]+	182.11811	137.3
[M+HCOO]-	244.11905	166.4
[M+CH3COO]-	258.13470	189.3
[M+Na-2H]-	220.09552	151.1
[M]+	199.12030	156.1
[M]-	199.12140	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe