CID 3066548

1h-pyrazole-1-butanoic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1=CN(N=C1)CCCC(=O)O
InChI
InChI=1S/C7H10N2O2/c10-7(11)3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2,(H,10,11)
InChIKey
PQTCGHYOOHMITR-UHFFFAOYSA-N
Compound name
4-pyrazol-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

154.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 131.6
[M+Na]+ 177.063448 139.3
[M-H]- 153.066954 131.1
[M+NH4]+ 172.108053 150.9
[M+K]+ 193.037388 138.0
[M+H-H2O]+ 137.071490 124.7
[M+HCOO]- 199.072431 153.1
[M+CH3COO]- 213.088081 172.1
[M+Na-2H]- 175.048896 136.7
[M]+ 154.07368142 132.1
[M]- 154.07477858 132.1
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