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

80
Patents

154.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.6
[M+Na]+ 177.06345 139.3
[M-H]- 153.06695 131.1
[M+NH4]+ 172.10805 150.9
[M+K]+ 193.03739 138.0
[M+H-H2O]+ 137.07149 124.7
[M+HCOO]- 199.07243 153.1
[M+CH3COO]- 213.08808 172.1
[M+Na-2H]- 175.04890 136.7
[M]+ 154.07368 132.1
[M]- 154.07478 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