CID 45092111

205877-92-5

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1CCC(=O)C=C1

InChI

InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)

InChIKey

QGAMBGGFAOFTCM-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.12085 Da
Monoisotopic Mass: 1.2
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]+	212.12813	147.1
[M+Na]+	234.11007	152.6
[M-H]-	210.11357	150.4
[M+NH4]+	229.15467	165.8
[M+K]+	250.08401	151.9
[M+H-H2O]+	194.11811	141.6
[M+HCOO]-	256.11905	167.7
[M+CH3COO]-	270.13470	187.6
[M+Na-2H]-	232.09552	151.6
[M]+	211.12030	146.2
[M]-	211.12140	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe