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

16
Patents

154.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 132.0
[M+Na]+ 177.06345 139.4
[M-H]- 153.06695 131.6
[M+NH4]+ 172.10805 151.2
[M+K]+ 193.03739 138.6
[M+H-H2O]+ 137.07149 125.2
[M+HCOO]- 199.07243 152.5
[M+CH3COO]- 213.08808 173.0
[M+Na-2H]- 175.04890 135.9
[M]+ 154.07368 131.9
[M]- 154.07478 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