CID 130606123

7,7-dimethyl-5h,7h-furo[3,4-d]pyrimidin-2-amine

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1(C2=NC(=NC=C2CO1)N)C
InChI
InChI=1S/C8H11N3O/c1-8(2)6-5(4-12-8)3-10-7(9)11-6/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKey
DUCVBBXFYRNNNT-UHFFFAOYSA-N
Compound name
7,7-dimethyl-5H-furo[3,4-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 132.5
[M+Na]+ 188.07943 142.9
[M-H]- 164.08293 135.3
[M+NH4]+ 183.12403 154.0
[M+K]+ 204.05337 141.7
[M+H-H2O]+ 148.08747 126.2
[M+HCOO]- 210.08841 153.8
[M+CH3COO]- 224.10406 146.6
[M+Na-2H]- 186.06488 140.6
[M]+ 165.08966 132.7
[M]- 165.09076 132.7
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.