CID 132300886

2137590-74-8

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C1=NC=C(C(=O)N1)OC)N
InChI
InChI=1S/C8H13N3O2/c1-8(2,9)7-10-4-5(13-3)6(12)11-7/h4H,9H2,1-3H3,(H,10,11,12)
InChIKey
VBWDOBAKQFVTSG-UHFFFAOYSA-N
Compound name
2-(2-aminopropan-2-yl)-5-methoxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 139.9
[M+Na]+ 206.08999 149.0
[M-H]- 182.09349 139.8
[M+NH4]+ 201.13459 156.4
[M+K]+ 222.06393 146.5
[M+H-H2O]+ 166.09803 133.4
[M+HCOO]- 228.09897 160.1
[M+CH3COO]- 242.11462 181.3
[M+Na-2H]- 204.07544 146.7
[M]+ 183.10022 139.2
[M]- 183.10132 139.2
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

patents stripe