CID 117124753

1-(oxan-2-yl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CCOC(C1)N2C=C(C=N2)O
InChI
InChI=1S/C8H12N2O2/c11-7-5-9-10(6-7)8-3-1-2-4-12-8/h5-6,8,11H,1-4H2
InChIKey
ABKOWXIYQYXRMS-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.4
[M+Na]+ 191.07909 140.9
[M-H]- 167.08259 137.3
[M+NH4]+ 186.12369 151.6
[M+K]+ 207.05303 140.2
[M+H-H2O]+ 151.08713 126.9
[M+HCOO]- 213.08807 152.6
[M+CH3COO]- 227.10372 146.8
[M+Na-2H]- 189.06454 139.5
[M]+ 168.08932 130.8
[M]- 168.09042 130.8
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