CID 82600518

1522697-70-6

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=CC(=NN1C)C2(CC2)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-6-5-7(10-11(6)2)9(3-4-9)8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKey
BGRSPJHKJMHTKX-UHFFFAOYSA-N
Compound name
1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 141.5
[M+Na]+ 203.07909 152.8
[M-H]- 179.08259 145.9
[M+NH4]+ 198.12369 157.3
[M+K]+ 219.05303 149.8
[M+H-H2O]+ 163.08713 135.6
[M+HCOO]- 225.08807 162.3
[M+CH3COO]- 239.10372 181.9
[M+Na-2H]- 201.06454 145.4
[M]+ 180.08932 145.0
[M]- 180.09042 145.0
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.