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 140.6
[M+Na]+ 209.09234 148.5
[M-H]- 185.09584 144.6
[M+NH4]+ 204.13694 156.7
[M+K]+ 225.06628 139.0
[M+H-H2O]+ 169.10038 134.7
[M+HCOO]- 231.10132 163.4
[M+CH3COO]- 245.11697 177.0
[M+Na-2H]- 207.07779 151.5
[M]+ 186.10257 137.2
[M]- 186.10367 137.2
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.