CID 98318

74039-10-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)NC1CC2CCC1C2

InChI

InChI=1S/C10H17NO2/c1-2-13-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)

InChIKey

BEEMRXRYLIWEJL-UHFFFAOYSA-N

Compound name

ethyl N-(2-bicyclo[2.2.1]heptanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 183.12593 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]+	184.133206	143.2
[M+Na]+	206.115148	148.7
[M-H]-	182.118654	145.7
[M+NH4]+	201.159753	167.9
[M+K]+	222.089088	147.5
[M+H-H2O]+	166.123190	138.5
[M+HCOO]-	228.124131	164.7
[M+CH3COO]-	242.139781	183.1
[M+Na-2H]-	204.100596	145.8
[M]+	183.12538142	142.3
[M]-	183.12647858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe