CID 45080051

Pyrimidine-4-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C5H6N4
SMILES
C1=CN=CN=C1C(=N)N
InChI
InChI=1S/C5H6N4/c6-5(7)4-1-2-8-3-9-4/h1-3H,(H3,6,7)
InChIKey
QSAPNXNLWSGIPY-UHFFFAOYSA-N
Compound name
pyrimidine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

122.05925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.066526 122.2
[M+Na]+ 145.048468 129.8
[M-H]- 121.051974 123.0
[M+NH4]+ 140.093073 140.8
[M+K]+ 161.022408 127.9
[M+H-H2O]+ 105.056510 114.9
[M+HCOO]- 167.057451 146.2
[M+CH3COO]- 181.073101 173.6
[M+Na-2H]- 143.033916 131.2
[M]+ 122.05870142 117.9
[M]- 122.05979858 117.9
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