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]+ 210.098556 147.9
[M+Na]+ 232.080498 159.4
[M-H]- 208.084004 145.6
[M+NH4]+ 227.125103 162.8
[M+K]+ 248.054438 156.4
[M+H-H2O]+ 192.088540 139.8
[M+HCOO]- 254.089481 163.3
[M+CH3COO]- 268.105131 186.7
[M+Na-2H]- 230.065946 151.1
[M]+ 209.09073142 149.4
[M]- 209.09182858 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