CID 12572

Dimetilan

Structural Information

Molecular Formula

C₁₀H₁₆N₄O₃

SMILES

CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C

InChI

InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3

InChIKey

RDBIYWSVMRVKSG-UHFFFAOYSA-N

Compound name

[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 5
References: 7700
Patents: 240.12224 Da
Monoisotopic Mass: 0.6
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]+	241.129516	153.6
[M+Na]+	263.111458	161.0
[M-H]-	239.114964	158.2
[M+NH4]+	258.156063	171.4
[M+K]+	279.085398	163.0
[M+H-H2O]+	223.119500	145.6
[M+HCOO]-	285.120441	178.2
[M+CH3COO]-	299.136091	202.4
[M+Na-2H]-	261.096906	154.7
[M]+	240.12169142	158.7
[M]-	240.12278858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe