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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 147.9
[M+Na]+ 232.08050 159.4
[M-H]- 208.08400 145.6
[M+NH4]+ 227.12510 162.8
[M+K]+ 248.05444 156.4
[M+H-H2O]+ 192.08854 139.8
[M+HCOO]- 254.08948 163.3
[M+CH3COO]- 268.10513 186.7
[M+Na-2H]- 230.06595 151.1
[M]+ 209.09073 149.4
[M]- 209.09183 149.4
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