CID 5175065

16801-62-0

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

C1CC(CCC1NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)

InChIKey

JNPBKQOVSMBPGE-UHFFFAOYSA-N

Compound name

benzyl N-(4-hydroxycyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 265
Patents: 249.13649 Da
Monoisotopic Mass: 2.1
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]+	250.143766	157.0
[M+Na]+	272.125708	160.1
[M-H]-	248.129214	161.2
[M+NH4]+	267.170313	172.6
[M+K]+	288.099648	157.5
[M+H-H2O]+	232.133750	149.4
[M+HCOO]-	294.134691	176.4
[M+CH3COO]-	308.150341	191.5
[M+Na-2H]-	270.111156	160.1
[M]+	249.13594142	152.4
[M]-	249.13703858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe