CID 88055853

1232365-54-6

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NC1(CC(C1)OC)C=O

InChI

InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-11(7-13)5-8(6-11)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)

InChIKey

YACJNCYKVCIZIK-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-formyl-3-methoxycyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 229.13141 Da
Monoisotopic Mass: 0.7
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]+	230.13869	153.2
[M+Na]+	252.12063	157.7
[M-H]-	228.12413	156.6
[M+NH4]+	247.16523	166.5
[M+K]+	268.09457	161.2
[M+H-H2O]+	212.12867	143.8
[M+HCOO]-	274.12961	173.2
[M+CH3COO]-	288.14526	194.3
[M+Na-2H]-	250.10608	157.6
[M]+	229.13086	164.7
[M]-	229.13196	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe