CID 20041375

4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

Structural Information

Molecular Formula
C10H13N3
SMILES
C1CNC(=NC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13N3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5H,1,6-7,11H2,(H,12,13)
InChIKey
ZPDYCNXXQBVTQP-UHFFFAOYSA-N
Compound name
4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

175.11095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 138.4
[M+Na]+ 198.100168 144.5
[M-H]- 174.103674 140.1
[M+NH4]+ 193.144773 154.3
[M+K]+ 214.074108 140.1
[M+H-H2O]+ 158.108210 130.1
[M+HCOO]- 220.109151 157.5
[M+CH3COO]- 234.124801 149.7
[M+Na-2H]- 196.085616 145.0
[M]+ 175.11040142 131.1
[M]- 175.11149858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe