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]+ 196.108046 142.2
[M+Na]+ 218.089988 147.9
[M-H]- 194.093494 143.4
[M+NH4]+ 213.134593 153.7
[M+K]+ 234.063928 149.2
[M+H-H2O]+ 178.098030 129.8
[M+HCOO]- 240.098971 159.9
[M+CH3COO]- 254.114621 181.5
[M+Na-2H]- 216.075436 146.6
[M]+ 195.10022142 149.8
[M]- 195.10131858 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.