CID 165743035

2803862-46-4

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CC(C)(C)OC(=O)N1CC2=C(C(=O)C1)N=NN2C
InChI
InChI=1S/C11H16N4O3/c1-11(2,3)18-10(17)15-5-7-9(8(16)6-15)12-13-14(7)4/h5-6H2,1-4H3
InChIKey
NQWDTFRIAOKMFX-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-7-oxo-4,6-dihydrotriazolo[4,5-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12224 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 160.0
[M+Na]+ 275.11146 169.3
[M-H]- 251.11496 159.7
[M+NH4]+ 270.15606 175.1
[M+K]+ 291.08540 167.6
[M+H-H2O]+ 235.11950 152.4
[M+HCOO]- 297.12044 174.7
[M+CH3COO]- 311.13609 193.8
[M+Na-2H]- 273.09691 163.1
[M]+ 252.12169 162.1
[M]- 252.12279 162.1
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.