CID 16641324

Sodium 2-(1h-pyrazol-1-yl)butanoate

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CCC(C(=O)O)N1C=CC=N1
InChI
InChI=1S/C7H10N2O2/c1-2-6(7(10)11)9-5-3-4-8-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
IEXRRMGTTDOMLK-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 132.0
[M+Na]+ 177.063448 139.4
[M-H]- 153.066954 131.6
[M+NH4]+ 172.108053 151.2
[M+K]+ 193.037388 138.6
[M+H-H2O]+ 137.071490 125.2
[M+HCOO]- 199.072431 152.5
[M+CH3COO]- 213.088081 173.0
[M+Na-2H]- 175.048896 135.9
[M]+ 154.07368142 131.9
[M]- 154.07477858 131.9
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