CID 165944365

2703774-96-1

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NN=C3N2CCNC3
InChI
InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)17-7-9(8-17)11-16-15-10-6-14-4-5-18(10)11/h9,14H,4-8H2,1-3H3
InChIKey
CNWXDIKQHBFKSK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16953 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17681 170.4
[M+Na]+ 302.15875 175.1
[M-H]- 278.16225 169.2
[M+NH4]+ 297.20335 175.3
[M+K]+ 318.13269 175.2
[M+H-H2O]+ 262.16679 155.9
[M+HCOO]- 324.16773 179.3
[M+CH3COO]- 338.18338 199.1
[M+Na-2H]- 300.14420 171.4
[M]+ 279.16898 176.1
[M]- 279.17008 176.1
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.