CID 102604402

1794557-73-5

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C3N2CCNC3
InChI
InChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-7-4-11(5-8-19)13-18-17-12-10-16-6-9-20(12)13/h11,16H,4-10H2,1-3H3
InChIKey
GWEAGQXEYCBUII-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20084 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20812 179.5
[M+Na]+ 330.19006 183.6
[M-H]- 306.19356 177.8
[M+NH4]+ 325.23466 189.1
[M+K]+ 346.16400 179.8
[M+H-H2O]+ 290.19810 169.2
[M+HCOO]- 352.19904 186.5
[M+CH3COO]- 366.21469 200.8
[M+Na-2H]- 328.17551 179.6
[M]+ 307.20029 173.5
[M]- 307.20139 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.