CID 145867108

2361703-40-2

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C)C2CNC2
InChI
InChI=1S/C10H15N3O2/c1-3-15-10(14)8-6-12-13(2)9(8)7-4-11-5-7/h6-7,11H,3-5H2,1-2H3
InChIKey
YCYFEGXYMFVSFD-UHFFFAOYSA-N
Compound name
ethyl 5-(azetidin-3-yl)-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 146.5
[M+Na]+ 232.10564 152.7
[M-H]- 208.10914 147.8
[M+NH4]+ 227.15024 156.1
[M+K]+ 248.07958 153.5
[M+H-H2O]+ 192.11368 133.4
[M+HCOO]- 254.11462 163.8
[M+CH3COO]- 268.13027 187.1
[M+Na-2H]- 230.09109 147.9
[M]+ 209.11587 154.9
[M]- 209.11697 154.9
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.