CID 31099

Formetanate

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)

InChIKey

RMFNNCGOSPBBAD-UHFFFAOYSA-N

Compound name

[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 39
References: 18047
Patents: 221.11642 Da
Monoisotopic Mass: 1.2
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]+	222.123696	149.6
[M+Na]+	244.105638	155.4
[M-H]-	220.109144	156.0
[M+NH4]+	239.150243	168.4
[M+K]+	260.079578	155.7
[M+H-H2O]+	204.113680	141.8
[M+HCOO]-	266.114621	178.4
[M+CH3COO]-	280.130271	200.6
[M+Na-2H]-	242.091086	155.3
[M]+	221.11587142	152.0
[M]-	221.11696858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe