CID 24271363

854405-75-7

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CN1C2=C(CCC2)C(=N1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-10-6-4-2-3-5(6)7(9-10)8(11)12/h2-4H2,1H3,(H,11,12)
InChIKey
VJHXHXGIWYIILZ-UHFFFAOYSA-N
Compound name
1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.7
[M+Na]+ 189.06345 144.0
[M-H]- 165.06695 135.9
[M+NH4]+ 184.10805 156.7
[M+K]+ 205.03739 142.2
[M+H-H2O]+ 149.07149 128.8
[M+HCOO]- 211.07243 155.0
[M+CH3COO]- 225.08808 175.6
[M+Na-2H]- 187.04890 137.3
[M]+ 166.07368 134.6
[M]- 166.07478 134.6
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