CID 73013691

915370-15-9

Structural Information

Molecular Formula
C13H20N4O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)C=O
InChI
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-10(9-18)14-15-17/h8-9,11H,4-7H2,1-3H3
InChIKey
FHKWIQQVFYABSA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.15353 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16081 165.6
[M+Na]+ 303.14275 174.7
[M+NH4]+ 298.18735 169.9
[M+K]+ 319.11669 173.3
[M-H]- 279.14625 164.1
[M+Na-2H]- 301.12820 168.8
[M]+ 280.15298 166.0
[M]- 280.15408 166.0
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

patents stripe