CID 3287412

1,3-diazinan-2-imine hydrochloride

Structural Information

Molecular Formula
C4H9N3
SMILES
C1CNC(=NC1)N
InChI
InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
InChIKey
PEHDFSFYZKSKGH-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1077
Patents

99.07965 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.08693 119.2
[M+Na]+ 122.06887 125.4
[M-H]- 98.072374 117.8
[M+NH4]+ 117.11347 138.3
[M+K]+ 138.04281 123.7
[M+H-H2O]+ 82.076910 112.5
[M+HCOO]- 144.07785 138.7
[M+CH3COO]- 158.09350 163.7
[M+Na-2H]- 120.05432 126.9
[M]+ 99.079101 111.8
[M]- 99.080199 111.8
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

No patent data available for this compound.