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

1106
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

literature stripe

Patent stripe

patents stripe