CID 68156607

1392516-19-6

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN1C(=CC(=N1)C2CCC2)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-11-8(9(12)13)5-7(10-11)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKey
NIDZRYJEUFEWBB-UHFFFAOYSA-N
Compound name
3-cyclobutyl-1-methylpyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

180.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 136.6
[M+Na]+ 203.079088 143.2
[M-H]- 179.082594 139.5
[M+NH4]+ 198.123693 148.6
[M+K]+ 219.053028 144.3
[M+H-H2O]+ 163.087130 124.7
[M+HCOO]- 225.088071 155.5
[M+CH3COO]- 239.103721 182.0
[M+Na-2H]- 201.064536 138.8
[M]+ 180.08932142 144.3
[M]- 180.09041858 144.3
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