CID 122163301

1989659-06-4

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(C)(C)OC(=O)C1CN2C=NN=C2CN1
InChI
InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)7-5-14-6-12-13-8(14)4-11-7/h6-7,11H,4-5H2,1-3H3
InChIKey
GGKBKNTXWMASNL-UHFFFAOYSA-N
Compound name
tert-butyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 154.3
[M+Na]+ 247.11654 161.5
[M-H]- 223.12004 151.9
[M+NH4]+ 242.16114 169.3
[M+K]+ 263.09048 159.3
[M+H-H2O]+ 207.12458 146.3
[M+HCOO]- 269.12552 167.4
[M+CH3COO]- 283.14117 185.3
[M+Na-2H]- 245.10199 158.7
[M]+ 224.12677 152.7
[M]- 224.12787 152.7
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.