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]+ 209.128466 150.0
[M+Na]+ 231.110408 158.6
[M-H]- 207.113914 153.5
[M+NH4]+ 226.155013 162.5
[M+K]+ 247.084348 154.7
[M+H-H2O]+ 191.118450 142.4
[M+HCOO]- 253.119391 169.7
[M+CH3COO]- 267.135041 187.8
[M+Na-2H]- 229.095856 151.4
[M]+ 208.12064142 152.8
[M]- 208.12173858 152.8
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

No patent data available for this compound.