CID 19089114

135830-16-9

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CN1C=CN2C1=C(C=N2)C(=O)O
InChI
InChI=1S/C7H7N3O2/c1-9-2-3-10-6(9)5(4-8-10)7(11)12/h2-4H,1H3,(H,11,12)
InChIKey
GMJYHHCMCASXOR-UHFFFAOYSA-N
Compound name
1-methylimidazo[1,2-b]pyrazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 131.1
[M+Na]+ 188.04305 142.9
[M-H]- 164.04655 131.9
[M+NH4]+ 183.08765 152.0
[M+K]+ 204.01699 141.0
[M+H-H2O]+ 148.05109 124.6
[M+HCOO]- 210.05203 153.4
[M+CH3COO]- 224.06768 174.9
[M+Na-2H]- 186.02850 136.0
[M]+ 165.05328 134.1
[M]- 165.05438 134.1
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