CID 125451995

2059942-33-3

Structural Information

Molecular Formula
C11H16F2N4O2
SMILES
CCOC(=O)C1=C(N(N=N1)C2CCNCC2)C(F)F
InChI
InChI=1S/C11H16F2N4O2/c1-2-19-11(18)8-9(10(12)13)17(16-15-8)7-3-5-14-6-4-7/h7,10,14H,2-6H2,1H3
InChIKey
MFGQKMIPZHOGEG-UHFFFAOYSA-N
Compound name
ethyl 5-(difluoromethyl)-1-piperidin-4-yltriazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12415 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13143 161.1
[M+Na]+ 297.11337 166.9
[M-H]- 273.11687 157.9
[M+NH4]+ 292.15797 172.4
[M+K]+ 313.08731 163.7
[M+H-H2O]+ 257.12141 149.7
[M+HCOO]- 319.12235 172.5
[M+CH3COO]- 333.13800 194.6
[M+Na-2H]- 295.09882 159.6
[M]+ 274.12360 155.2
[M]- 274.12470 155.2
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.