CID 182004

30614-21-2

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CC1=C(N=C(N=C1OC(=O)N(C)C)N)C
InChI
InChI=1S/C9H14N4O2/c1-5-6(2)11-8(10)12-7(5)15-9(14)13(3)4/h1-4H3,(H2,10,11,12)
InChIKey
DIWQKLUHIVULSN-UHFFFAOYSA-N
Compound name
(2-amino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 146.9
[M+Na]+ 233.10090 155.8
[M-H]- 209.10440 149.8
[M+NH4]+ 228.14550 163.7
[M+K]+ 249.07484 155.5
[M+H-H2O]+ 193.10894 139.1
[M+HCOO]- 255.10988 170.5
[M+CH3COO]- 269.12553 195.7
[M+Na-2H]- 231.08635 150.8
[M]+ 210.11113 149.2
[M]- 210.11223 149.2
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

No patent data available for this compound.