CID 117124803

1-cyclopropyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC1N2C=C(C=N2)O
InChI
InChI=1S/C6H8N2O/c9-6-3-7-8(4-6)5-1-2-5/h3-5,9H,1-2H2
InChIKey
FOLFJWGZNWRJLM-UHFFFAOYSA-N
Compound name
1-cyclopropylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

124.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 126.9
[M+Na]+ 147.052878 138.0
[M-H]- 123.056384 131.0
[M+NH4]+ 142.097483 142.9
[M+K]+ 163.026818 134.8
[M+H-H2O]+ 107.060920 119.9
[M+HCOO]- 169.061861 149.7
[M+CH3COO]- 183.077511 170.7
[M+Na-2H]- 145.038326 133.1
[M]+ 124.06311142 128.4
[M]- 124.06420858 128.4
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