CID 177801207

2-[5-(1h-imidazol-2-yl)pyrimidin-2-yl]ethan-1-amine

Structural Information

Molecular Formula
C9H11N5
SMILES
C1=CN=C(N1)C2=CN=C(N=C2)CCN
InChI
InChI=1S/C9H11N5/c10-2-1-8-13-5-7(6-14-8)9-11-3-4-12-9/h3-6H,1-2,10H2,(H,11,12)
InChIKey
DGRCUBNQHMWSKR-UHFFFAOYSA-N
Compound name
2-[5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10144 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.108716 140.3
[M+Na]+ 212.090658 148.8
[M-H]- 188.094164 140.3
[M+NH4]+ 207.135263 155.0
[M+K]+ 228.064598 144.3
[M+H-H2O]+ 172.098700 130.8
[M+HCOO]- 234.099641 160.8
[M+CH3COO]- 248.115291 151.9
[M+Na-2H]- 210.076106 146.8
[M]+ 189.10089142 137.4
[M]- 189.10198858 137.4
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.