CID 57786813

1174069-03-4

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CC(C)(C)OC(=O)N1CCN2C(=NN=C2C=O)C1
InChI
InChI=1S/C11H16N4O3/c1-11(2,3)18-10(17)14-4-5-15-8(6-14)12-13-9(15)7-16/h7H,4-6H2,1-3H3
InChIKey
SURBHXJZUCWWOG-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

252.12224 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 157.5
[M+Na]+ 275.11146 166.9
[M+NH4]+ 270.15606 162.3
[M+K]+ 291.08540 165.6
[M-H]- 251.11496 154.6
[M+Na-2H]- 273.09691 159.3
[M]+ 252.12169 157.6
[M]- 252.12279 157.6
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

patents stripe