CID 38692

40886-95-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)OC(=O)NNC1=CC=CC=C1

InChI

InChI=1S/C10H14N2O2/c1-8(2)14-10(13)12-11-9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)

InChIKey

MEVPBSUVXHDGDF-UHFFFAOYSA-N

Compound name

propan-2-yl N-anilinocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 194.10553 Da
Monoisotopic Mass: 1.7
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]+	195.11281	143.0
[M+Na]+	217.09475	148.0
[M-H]-	193.09825	146.4
[M+NH4]+	212.13935	161.6
[M+K]+	233.06869	147.2
[M+H-H2O]+	177.10279	136.2
[M+HCOO]-	239.10373	168.0
[M+CH3COO]-	253.11938	187.7
[M+Na-2H]-	215.08020	148.7
[M]+	194.10498	142.4
[M]-	194.10608	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe