CID 21709142

(2-phenylpyrimidin-4-yl)methanamine

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CC=C(C=C1)C2=NC=CC(=N2)CN
InChI
InChI=1S/C11H11N3/c12-8-10-6-7-13-11(14-10)9-4-2-1-3-5-9/h1-7H,8,12H2
InChIKey
VSGYXILAPHTAGU-UHFFFAOYSA-N
Compound name
(2-phenylpyrimidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

185.09529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 139.4
[M+Na]+ 208.08451 147.6
[M-H]- 184.08801 143.1
[M+NH4]+ 203.12911 155.8
[M+K]+ 224.05845 143.4
[M+H-H2O]+ 168.09255 130.8
[M+HCOO]- 230.09349 162.6
[M+CH3COO]- 244.10914 152.1
[M+Na-2H]- 206.06996 148.1
[M]+ 185.09474 137.2
[M]- 185.09584 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

patents stripe