CID 45122224

23662-47-7

Structural Information

Molecular Formula
C8H8N4
SMILES
C1CC1C2=NC=C(C(=N2)N)C#N
InChI
InChI=1S/C8H8N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-2H2,(H2,10,11,12)
InChIKey
IQZSBEYDPXQSNV-UHFFFAOYSA-N
Compound name
4-amino-2-cyclopropylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

160.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 133.8
[M+Na]+ 183.06411 149.7
[M-H]- 159.06761 139.1
[M+NH4]+ 178.10871 147.0
[M+K]+ 199.03805 142.8
[M+H-H2O]+ 143.07215 122.1
[M+HCOO]- 205.07309 154.9
[M+CH3COO]- 219.08874 146.8
[M+Na-2H]- 181.04956 141.6
[M]+ 160.07434 130.9
[M]- 160.07544 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

patents stripe