CID 119057115

1820603-61-9

Structural Information

Molecular Formula

C₈H₁₁N₅O₂

SMILES

CC1C(=C(N(C2=NN=NN12)C)C)C(=O)O

InChI

InChI=1S/C8H11N5O2/c1-4-6(7(14)15)5(2)13-8(12(4)3)9-10-11-13/h5H,1-3H3,(H,14,15)

InChIKey

IJCKJPMVROFYDD-UHFFFAOYSA-N

Compound name

4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 209.09128 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.09856	147.0
[M+Na]+	232.08050	158.7
[M+NH4]+	227.12510	152.2
[M+K]+	248.05444	157.0
[M-H]-	208.08400	144.5
[M+Na-2H]-	230.06595	149.3
[M]+	209.09073	147.6
[M]-	209.09183	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe