CID 137942806

2287301-42-0

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCCC(C(=O)O)N1C(=CC=N1)C2CC2
InChI
InChI=1S/C11H16N2O2/c1-2-3-10(11(14)15)13-9(6-7-12-13)8-4-5-8/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKey
BYZNOTQIRYPNEX-UHFFFAOYSA-N
Compound name
2-(5-cyclopropylpyrazol-1-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 149.4
[M+Na]+ 231.11041 160.5
[M+NH4]+ 226.15501 156.4
[M+K]+ 247.08435 159.1
[M-H]- 207.11391 156.3
[M+Na-2H]- 229.09586 156.0
[M]+ 208.12064 153.7
[M]- 208.12174 153.7
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.