CID 138885

6969-90-0

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CN(C)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C9H11NO2/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

MYOHNZJKOAODMX-UHFFFAOYSA-N

Compound name

phenyl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 786
Patents: 165.07898 Da
Monoisotopic Mass: 1.6
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]+	166.086256	133.8
[M+Na]+	188.068198	140.6
[M-H]-	164.071704	139.0
[M+NH4]+	183.112803	154.7
[M+K]+	204.042138	141.0
[M+H-H2O]+	148.076240	127.5
[M+HCOO]-	210.077181	159.6
[M+CH3COO]-	224.092831	182.3
[M+Na-2H]-	186.053646	140.3
[M]+	165.07843142	135.6
[M]-	165.07952858	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe