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]+ 211.118956 146.9
[M+Na]+ 233.100898 155.8
[M-H]- 209.104404 149.8
[M+NH4]+ 228.145503 163.7
[M+K]+ 249.074838 155.5
[M+H-H2O]+ 193.108940 139.1
[M+HCOO]- 255.109881 170.5
[M+CH3COO]- 269.125531 195.7
[M+Na-2H]- 231.086346 150.8
[M]+ 210.11113142 149.2
[M]- 210.11222858 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.