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[2,1-e]pyrazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 131.1
[M+Na]+ 188.043048 142.9
[M-H]- 164.046554 131.9
[M+NH4]+ 183.087653 152.0
[M+K]+ 204.016988 141.0
[M+H-H2O]+ 148.051090 124.6
[M+HCOO]- 210.052031 153.4
[M+CH3COO]- 224.067681 174.9
[M+Na-2H]- 186.028496 136.0
[M]+ 165.05328142 134.1
[M]- 165.05437858 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