CID 21401

Isopropyl furfurylcarbamate

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

CC(C)OC(=O)NCC1=CC=CO1

InChI

InChI=1S/C9H13NO3/c1-7(2)13-9(11)10-6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,10,11)

InChIKey

JZCBXDSLFBPBAH-UHFFFAOYSA-N

Compound name

propan-2-yl N-(furan-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 183.08954 Da
Monoisotopic Mass: 1.3
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]+	184.09682	140.5
[M+Na]+	206.07876	149.4
[M+NH4]+	201.12336	147.5
[M+K]+	222.05270	147.4
[M-H]-	182.08226	142.2
[M+Na-2H]-	204.06421	144.2
[M]+	183.08899	141.9
[M]-	183.09009	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe