CID 63756895

2825008-40-8

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CC1=NN(C(=C1C(=O)O)N)C
InChI
InChI=1S/C6H9N3O2/c1-3-4(6(10)11)5(7)9(2)8-3/h7H2,1-2H3,(H,10,11)
InChIKey
PSOYXTYCCIWCNE-UHFFFAOYSA-N
Compound name
5-amino-1,3-dimethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

155.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.7
[M+Na]+ 178.05869 140.7
[M-H]- 154.06219 131.0
[M+NH4]+ 173.10329 150.2
[M+K]+ 194.03263 139.1
[M+H-H2O]+ 138.06673 124.5
[M+HCOO]- 200.06767 152.8
[M+CH3COO]- 214.08332 176.9
[M+Na-2H]- 176.04414 133.5
[M]+ 155.06892 130.2
[M]- 155.07002 130.2
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