CID 59418317

5-(azetidin-3-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C7H9N3
SMILES
C1C(CN1)C2=CN=CN=C2
InChI
InChI=1S/C7H9N3/c1-6(2-8-1)7-3-9-5-10-4-7/h3-6,8H,1-2H2
InChIKey
LLDMTOBIYCDPNG-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

135.07965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 124.9
[M+Na]+ 158.06887 131.6
[M-H]- 134.07237 125.7
[M+NH4]+ 153.11347 135.4
[M+K]+ 174.04281 131.8
[M+H-H2O]+ 118.07691 111.7
[M+HCOO]- 180.07785 143.0
[M+CH3COO]- 194.09350 172.9
[M+Na-2H]- 156.05432 133.5
[M]+ 135.07910 129.6
[M]- 135.08020 129.6
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

patents stripe