CID 46835388

2,4,6-triaminopyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5H6N6
SMILES
C(#N)C1=C(N=C(N=C1N)N)N
InChI
InChI=1S/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11)
InChIKey
OXBKPLFFXBNIHW-UHFFFAOYSA-N
Compound name
2,4,6-triaminopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

150.0654 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.072676 131.8
[M+Na]+ 173.054618 141.8
[M-H]- 149.058124 131.6
[M+NH4]+ 168.099223 146.9
[M+K]+ 189.028558 140.1
[M+H-H2O]+ 133.062660 117.8
[M+HCOO]- 195.063601 151.9
[M+CH3COO]- 209.079251 194.8
[M+Na-2H]- 171.040066 136.9
[M]+ 150.06485142 122.1
[M]- 150.06594858 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe