CID 112416

1h-perimidin-2-amine

Structural Information

Molecular Formula
C11H9N3
SMILES
C1=CC2=C3C(=C1)NC(=NC3=CC=C2)N
InChI
InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)
InChIKey
UNDUSVBXIVZGOQ-UHFFFAOYSA-N
Compound name
1H-perimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

639
Patents

183.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.086926 137.5
[M+Na]+ 206.068868 146.7
[M-H]- 182.072374 138.0
[M+NH4]+ 201.113473 156.0
[M+K]+ 222.042808 141.2
[M+H-H2O]+ 166.076910 130.0
[M+HCOO]- 228.077851 156.1
[M+CH3COO]- 242.093501 149.7
[M+Na-2H]- 204.054316 148.3
[M]+ 183.07910142 134.5
[M]- 183.08019858 134.5
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