CID 55299071

2-(azetidin-3-yl)-4-methylpyrimidine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

149.09529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 130.4
[M+Na]+ 172.08451 137.5
[M-H]- 148.08801 131.4
[M+NH4]+ 167.12911 140.6
[M+K]+ 188.05845 137.5
[M+H-H2O]+ 132.09255 117.2
[M+HCOO]- 194.09349 148.1
[M+CH3COO]- 208.10914 176.8
[M+Na-2H]- 170.06996 137.6
[M]+ 149.09474 135.8
[M]- 149.09584 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