CID 114717466

5-(azetidin-3-yl)-1-methyl-1h-imidazoledihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
CN1C=NC=C1C2CNC2
InChI
InChI=1S/C7H11N3/c1-10-5-9-4-7(10)6-2-8-3-6/h4-6,8H,2-3H2,1H3
InChIKey
YXFVUPDBAJMEPD-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.09529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 125.9
[M+Na]+ 160.08451 133.0
[M+NH4]+ 155.12911 129.9
[M+K]+ 176.05845 131.4
[M-H]- 136.08801 124.2
[M+Na-2H]- 158.06996 129.8
[M]+ 137.09474 125.0
[M]- 137.09584 125.0
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.