CID 100294309

2-amino-4-cyclopropylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C8H8N4
SMILES
C1CC1C2=NC(=NC=C2C#N)N
InChI
InChI=1S/C8H8N4/c9-3-6-4-11-8(10)12-7(6)5-1-2-5/h4-5H,1-2H2,(H2,10,11,12)
InChIKey
PUGKOIJQAZVGCI-UHFFFAOYSA-N
Compound name
2-amino-4-cyclopropylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07489 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.082166 133.8
[M+Na]+ 183.064108 149.7
[M-H]- 159.067614 139.1
[M+NH4]+ 178.108713 147.0
[M+K]+ 199.038048 142.8
[M+H-H2O]+ 143.072150 122.1
[M+HCOO]- 205.073091 154.9
[M+CH3COO]- 219.088741 146.8
[M+Na-2H]- 181.049556 141.6
[M]+ 160.07434142 130.9
[M]- 160.07543858 130.9
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.