CID 59418301

2-(azetidin-3-yl)-5-methylpyrimidine dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
CC1=CN=C(N=C1)C2CNC2
InChI
InChI=1S/C8H11N3/c1-6-2-10-8(11-3-6)7-4-9-5-7/h2-3,7,9H,4-5H2,1H3
InChIKey
XBBPFAVAVRGIPB-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

149.09529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 130.4
[M+Na]+ 172.084508 137.5
[M-H]- 148.088014 131.4
[M+NH4]+ 167.129113 140.6
[M+K]+ 188.058448 137.5
[M+H-H2O]+ 132.092550 117.2
[M+HCOO]- 194.093491 148.1
[M+CH3COO]- 208.109141 176.8
[M+Na-2H]- 170.069956 137.6
[M]+ 149.09474142 135.8
[M]- 149.09583858 135.8
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

patents stripe