CID 3765880

2-amino-1-benzylpyrimidin-1-ium chloride

Structural Information

Molecular Formula
C11H12N3
SMILES
C1=CC=C(C=C1)C[N+]2=CC=CN=C2N
InChI
InChI=1S/C11H11N3/c12-11-13-7-4-8-14(11)9-10-5-2-1-3-6-10/h1-8,12H,9H2/p+1
InChIKey
HSRVNTXNHCVCEG-UHFFFAOYSA-O
Compound name
1-benzylpyrimidin-1-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10312 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11040 137.4
[M+Na]+ 209.09234 154.5
[M+NH4]+ 204.13694 147.5
[M+K]+ 225.06628 147.4
[M-H]- 185.09584 143.8
[M+Na-2H]- 207.07779 149.3
[M]+ 186.10257 142.1
[M]- 186.10367 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.