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]+ 185.047616 134.1
[M+Na]+ 207.029558 146.0
[M-H]- 183.033064 137.1
[M+NH4]+ 202.074163 156.2
[M+K]+ 223.003498 143.5
[M+H-H2O]+ 167.037600 128.5
[M+HCOO]- 229.038541 150.3
[M+CH3COO]- 243.054191 148.6
[M+Na-2H]- 205.015006 142.2
[M]+ 184.03979142 137.6
[M]- 184.04088858 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.