CID 138040157

2247103-83-7

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C[C@@H]1CC2=C([C@@H](O1)C)NN=C2C(=O)O
InChI
InChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)14-4)10-11-8(6)9(12)13/h4-5H,3H2,1-2H3,(H,10,11)(H,12,13)/t4-,5+/m1/s1
InChIKey
KMEZMRMPDGUPES-UHNVWZDZSA-N
Compound name
(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 142.0
[M+Na]+ 219.074018 150.6
[M-H]- 195.077524 142.1
[M+NH4]+ 214.118623 159.2
[M+K]+ 235.047958 148.8
[M+H-H2O]+ 179.082060 136.0
[M+HCOO]- 241.083001 157.5
[M+CH3COO]- 255.098651 179.5
[M+Na-2H]- 217.059466 145.2
[M]+ 196.08425142 140.7
[M]- 196.08534858 140.7
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

No patent data available for this compound.