CID 45693

Dtxsid50981335

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC(C)(C)COC(=O)NC1=CC=CO1

InChI

InChI=1S/C10H15NO3/c1-10(2,3)7-14-9(12)11-8-5-4-6-13-8/h4-6H,7H2,1-3H3,(H,11,12)

InChIKey

XECPEDLWCKINAV-UHFFFAOYSA-N

Compound name

2,2-dimethylpropyl N-(furan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 2.6
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]+	198.112476	144.3
[M+Na]+	220.094418	150.9
[M-H]-	196.097924	148.6
[M+NH4]+	215.139023	163.9
[M+K]+	236.068358	151.6
[M+H-H2O]+	180.102460	138.9
[M+HCOO]-	242.103401	167.7
[M+CH3COO]-	256.119051	183.5
[M+Na-2H]-	218.079866	150.6
[M]+	197.10465142	147.3
[M]-	197.10574858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.