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]+ 181.097146 141.5
[M+Na]+ 203.079088 152.8
[M-H]- 179.082594 145.9
[M+NH4]+ 198.123693 157.3
[M+K]+ 219.053028 149.8
[M+H-H2O]+ 163.087130 135.6
[M+HCOO]- 225.088071 162.3
[M+CH3COO]- 239.103721 181.9
[M+Na-2H]- 201.064536 145.4
[M]+ 180.08932142 145.0
[M]- 180.09041858 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.