CID 165994206

Methyl 2-[3-(1h-pyrazol-1-yl)azetidin-3-yl]acetate dihydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COC(=O)CC1(CNC1)N2C=CC=N2
InChI
InChI=1S/C9H13N3O2/c1-14-8(13)5-9(6-10-7-9)12-4-2-3-11-12/h2-4,10H,5-7H2,1H3
InChIKey
MXPOUIPWWYURGV-UHFFFAOYSA-N
Compound name
methyl 2-(3-pyrazol-1-ylazetidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.2
[M+Na]+ 218.08999 147.9
[M-H]- 194.09349 143.4
[M+NH4]+ 213.13459 153.7
[M+K]+ 234.06393 149.2
[M+H-H2O]+ 178.09803 129.8
[M+HCOO]- 240.09897 159.9
[M+CH3COO]- 254.11462 181.5
[M+Na-2H]- 216.07544 146.6
[M]+ 195.10022 149.8
[M]- 195.10132 149.8
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

No patent data available for this compound.