CID 165821074

Ethyl 2-[3-(4-iodo-1h-pyrazol-1-yl)azetidin-3-yl]acetate hydrochloride

Structural Information

Molecular Formula
C10H14IN3O2
SMILES
CCOC(=O)CC1(CNC1)N2C=C(C=N2)I
InChI
InChI=1S/C10H14IN3O2/c1-2-16-9(15)3-10(6-12-7-10)14-5-8(11)4-13-14/h4-5,12H,2-3,6-7H2,1H3
InChIKey
GIEQYQXNNXWKFH-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-iodopyrazol-1-yl)azetidin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.01306 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02034 155.9
[M+Na]+ 358.00228 155.1
[M-H]- 334.00578 150.5
[M+NH4]+ 353.04688 162.1
[M+K]+ 373.97622 161.3
[M+H-H2O]+ 318.01032 140.5
[M+HCOO]- 380.01126 168.4
[M+CH3COO]- 394.02691 196.2
[M+Na-2H]- 355.98773 147.5
[M]+ 335.01251 161.4
[M]- 335.01361 161.4
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.