CID 46899063

Schembl2576177

Structural Information

Molecular Formula

C₁₄H₂₇NO₂

SMILES

CCC(C)NC(=O)OC1CC(CC(C1)(C)C)C

InChI

InChI=1S/C14H27NO2/c1-6-11(3)15-13(16)17-12-7-10(2)8-14(4,5)9-12/h10-12H,6-9H2,1-5H3,(H,15,16)

InChIKey

UJUIRNFIDXYYDT-UHFFFAOYSA-N

Compound name

(3,3,5-trimethylcyclohexyl) N-butan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 241.20418 Da
Monoisotopic Mass: 4.4
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]+	242.21146	159.6
[M+Na]+	264.19340	163.6
[M-H]-	240.19690	162.3
[M+NH4]+	259.23800	179.2
[M+K]+	280.16734	162.9
[M+H-H2O]+	224.20144	154.4
[M+HCOO]-	286.20238	177.8
[M+CH3COO]-	300.21803	197.9
[M+Na-2H]-	262.17885	159.9
[M]+	241.20363	158.1
[M]-	241.20473	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe