CID 56828559

1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H13N3
SMILES
CC(C1=CC=C(C=C1)C2=CN=CN=C2)N
InChI
InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3
InChIKey
AEJFWHRDKIKKDQ-UHFFFAOYSA-N
Compound name
1-(4-pyrimidin-5-ylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.4
[M+Na]+ 222.10017 158.8
[M+NH4]+ 217.14477 152.9
[M+K]+ 238.07411 151.6
[M-H]- 198.10367 148.8
[M+Na-2H]- 220.08562 154.4
[M]+ 199.11040 147.7
[M]- 199.11150 147.7
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