CID 134791

20605-43-0

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c8-9-7(10)11-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)

InChIKey

DNDTZRSLSJSECH-UHFFFAOYSA-N

Compound name

phenyl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 195
Patents: 152.05858 Da
Monoisotopic Mass: 0.5
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]+	153.06586	128.8
[M+Na]+	175.04780	135.4
[M-H]-	151.05130	132.1
[M+NH4]+	170.09240	148.8
[M+K]+	191.02174	134.4
[M+H-H2O]+	135.05584	122.5
[M+HCOO]-	197.05678	155.1
[M+CH3COO]-	211.07243	177.1
[M+Na-2H]-	173.03325	136.3
[M]+	152.05803	126.8
[M]-	152.05913	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe