CID 99164

Isopropyl ethylcarbamate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCNC(=O)OC(C)C

InChI

InChI=1S/C6H13NO2/c1-4-7-6(8)9-5(2)3/h5H,4H2,1-3H3,(H,7,8)

InChIKey

MXCSVZZGUXSJJD-UHFFFAOYSA-N

Compound name

propan-2-yl N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 131.09464 Da
Monoisotopic Mass: 1.1
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]+	132.101916	128.8
[M+Na]+	154.083858	135.2
[M-H]-	130.087364	129.3
[M+NH4]+	149.128463	150.7
[M+K]+	170.057798	136.2
[M+H-H2O]+	114.091900	124.0
[M+HCOO]-	176.092841	152.4
[M+CH3COO]-	190.108491	175.3
[M+Na-2H]-	152.069306	133.6
[M]+	131.09409142	130.0
[M]-	131.09518858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe