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 166.9
[M+Na]+ 305.12202 174.8
[M-H]- 281.12552 165.2
[M+NH4]+ 300.16662 179.8
[M+K]+ 321.09596 173.2
[M+H-H2O]+ 265.13006 159.6
[M+HCOO]- 327.13100 178.9
[M+CH3COO]- 341.14665 197.5
[M+Na-2H]- 303.10747 168.3
[M]+ 282.13225 168.3
[M]- 282.13335 168.3
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.