CID 10197687

Aminexil

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=C(N(C(=N)N=C1)O)N
InChI
InChI=1S/C4H6N4O/c5-3-1-2-7-4(6)8(3)9/h1-2,6,9H,5H2
InChIKey
YTKGAYFHUZTLCI-UHFFFAOYSA-N
Compound name
3-hydroxy-2-iminopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

1951
Patents

126.05416 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.061436 121.9
[M+Na]+ 149.043378 131.6
[M-H]- 125.046884 122.1
[M+NH4]+ 144.087983 140.3
[M+K]+ 165.017318 129.0
[M+H-H2O]+ 109.051420 115.2
[M+HCOO]- 171.052361 145.8
[M+CH3COO]- 185.068011 171.7
[M+Na-2H]- 147.028826 130.4
[M]+ 126.05361142 118.1
[M]- 126.05470858 118.1
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