CID 165481613

2803861-15-4

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CCOC(=O)CC1(CNC1)N2C=CN=C2
InChI
InChI=1S/C10H15N3O2/c1-2-15-9(14)5-10(6-12-7-10)13-4-3-11-8-13/h3-4,8,12H,2,5-7H2,1H3
InChIKey
DKUXDLMBXZJPPK-UHFFFAOYSA-N
Compound name
ethyl 2-(3-imidazol-1-ylazetidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 146.7
[M+Na]+ 232.10564 152.0
[M-H]- 208.10914 147.7
[M+NH4]+ 227.15024 157.6
[M+K]+ 248.07958 153.0
[M+H-H2O]+ 192.11368 134.1
[M+HCOO]- 254.11462 164.0
[M+CH3COO]- 268.13027 184.4
[M+Na-2H]- 230.09109 150.6
[M]+ 209.11587 154.6
[M]- 209.11697 154.6
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

No patent data available for this compound.