CID 53044

74525-99-8

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CCOC(=O)NC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C13H21NO2/c1-2-16-13(15)14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3,(H,14,15)

InChIKey

ZGFSPPHSPDKNMB-UHFFFAOYSA-N

Compound name

ethyl N-(2-adamantyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.15723 Da
Monoisotopic Mass: 2.7
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]+	224.16451	150.7
[M+Na]+	246.14645	151.5
[M-H]-	222.14995	145.8
[M+NH4]+	241.19105	173.8
[M+K]+	262.12039	149.5
[M+H-H2O]+	206.15449	145.2
[M+HCOO]-	268.15543	158.3
[M+CH3COO]-	282.17108	159.0
[M+Na-2H]-	244.13190	159.8
[M]+	223.15668	151.2
[M]-	223.15778	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe