CID 165753639

2-chloro-5,5-dimethyl-5h,7h-furo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CC1(C2=CN=C(N=C2CO1)Cl)C
InChI
InChI=1S/C8H9ClN2O/c1-8(2)5-3-10-7(9)11-6(5)4-12-8/h3H,4H2,1-2H3
InChIKey
FCTJFBOYNCMIAC-UHFFFAOYSA-N
Compound name
2-chloro-5,5-dimethyl-7H-furo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 134.1
[M+Na]+ 207.02956 146.0
[M-H]- 183.03306 137.1
[M+NH4]+ 202.07416 156.2
[M+K]+ 223.00350 143.5
[M+H-H2O]+ 167.03760 128.5
[M+HCOO]- 229.03854 150.3
[M+CH3COO]- 243.05419 148.6
[M+Na-2H]- 205.01501 142.2
[M]+ 184.03979 137.6
[M]- 184.04089 137.6
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.