CID 89853669

1469286-30-3

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC=NN1C2(CC2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-6-2-5-9-10(6)8(3-4-8)7(11)12/h2,5H,3-4H2,1H3,(H,11,12)
InChIKey
ORCFVUUFJIZMLZ-UHFFFAOYSA-N
Compound name
1-(5-methylpyrazol-1-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

166.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 138.0
[M+Na]+ 189.06345 148.9
[M-H]- 165.06695 142.3
[M+NH4]+ 184.10805 154.1
[M+K]+ 205.03739 146.2
[M+H-H2O]+ 149.07149 132.0
[M+HCOO]- 211.07243 159.2
[M+CH3COO]- 225.08808 177.9
[M+Na-2H]- 187.04890 143.1
[M]+ 166.07368 140.8
[M]- 166.07478 140.8
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