CID 137698619

2059936-29-5

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CC1=NN=C2N1CC(N(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H18N4O4/c1-7-13-14-9-6-16(11(19)20-12(2,3)4)8(10(17)18)5-15(7)9/h8H,5-6H2,1-4H3,(H,17,18)
InChIKey
XVVNAWCYOKPMGZ-UHFFFAOYSA-N
Compound name
3-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 164.3
[M+Na]+ 305.12202 172.5
[M+NH4]+ 300.16662 167.8
[M+K]+ 321.09596 172.9
[M-H]- 281.12552 160.2
[M+Na-2H]- 303.10747 164.3
[M]+ 282.13225 163.7
[M]- 282.13335 163.7
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.