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

6912
Patents

240.12224 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 153.6
[M+Na]+ 263.11146 161.0
[M-H]- 239.11496 158.2
[M+NH4]+ 258.15606 171.4
[M+K]+ 279.08540 163.0
[M+H-H2O]+ 223.11950 145.6
[M+HCOO]- 285.12044 178.2
[M+CH3COO]- 299.13609 202.4
[M+Na-2H]- 261.09691 154.7
[M]+ 240.12169 158.7
[M]- 240.12279 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

literature stripe

Patent stripe

patents stripe