CID 89153

22021-66-5

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CC1=NN(C(=C1)OC(=O)N(C)C)C(=O)N(C)C
InChI
InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)14(11-7)9(15)12(2)3/h6H,1-5H3
InChIKey
LWVDEWOJWRWINH-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.