CID 49787364

Schembl2576683

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CC1CC(CC(C1)(C)C)OC(=O)NC2=CC=CC=C2O

InChI

InChI=1S/C16H23NO3/c1-11-8-12(10-16(2,3)9-11)20-15(19)17-13-6-4-5-7-14(13)18/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,19)

InChIKey

XMUAVVZKNAMDEP-UHFFFAOYSA-N

Compound name

(3,3,5-trimethylcyclohexyl) N-(2-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 277.1678 Da
Monoisotopic Mass: 4.2
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]+	278.175076	165.4
[M+Na]+	300.157018	170.6
[M-H]-	276.160524	170.5
[M+NH4]+	295.201623	182.7
[M+K]+	316.130958	168.0
[M+H-H2O]+	260.165060	158.9
[M+HCOO]-	322.166001	184.2
[M+CH3COO]-	336.181651	199.5
[M+Na-2H]-	298.142466	167.3
[M]+	277.16725142	162.8
[M]-	277.16834858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe