CID 91647760

1803590-28-4

Structural Information

Molecular Formula
C7H9N5O2
SMILES
CC1=C(CN2C(=NN=N2)N1C)C(=O)O
InChI
InChI=1S/C7H9N5O2/c1-4-5(6(13)14)3-12-7(11(4)2)8-9-10-12/h3H2,1-2H3,(H,13,14)
InChIKey
RPJDMORUYWPZKZ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.07562 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08290 143.0
[M+Na]+ 218.06484 154.0
[M-H]- 194.06834 140.4
[M+NH4]+ 213.10944 158.1
[M+K]+ 234.03878 151.3
[M+H-H2O]+ 178.07288 134.7
[M+HCOO]- 240.07382 158.8
[M+CH3COO]- 254.08947 182.5
[M+Na-2H]- 216.05029 147.4
[M]+ 195.07507 143.7
[M]- 195.07617 143.7
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