CID 11020615

181308-57-6

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)C=O

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h8-10H,4-7H2,1-3H3,(H,13,15)

InChIKey

GPDBIGSFXXKWQR-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-formylcyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 533
Patents: 227.15215 Da
Monoisotopic Mass: 1.7
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]+	228.15943	153.5
[M+Na]+	250.14137	161.3
[M+NH4]+	245.18597	160.0
[M+K]+	266.11531	157.1
[M-H]-	226.14487	153.6
[M+Na-2H]-	248.12682	156.2
[M]+	227.15160	154.2
[M]-	227.15270	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe