CID 71169

Isaxonine

Structural Information

Molecular Formula
C7H11N3
SMILES
CC(C)NC1=NC=CC=N1
InChI
InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)
InChIKey
FTCYIGBVOHNHCD-UHFFFAOYSA-N
Compound name
N-propan-2-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

58
References

373
Patents

137.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 128.2
[M+Na]+ 160.08451 135.5
[M-H]- 136.08801 129.1
[M+NH4]+ 155.12911 147.0
[M+K]+ 176.05845 134.2
[M+H-H2O]+ 120.09255 120.8
[M+HCOO]- 182.09349 150.9
[M+CH3COO]- 196.10914 176.3
[M+Na-2H]- 158.06996 136.9
[M]+ 137.09474 127.1
[M]- 137.09584 127.1
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