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

16
Patents

168.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.4
[M+Na]+ 191.079088 140.9
[M-H]- 167.082594 137.3
[M+NH4]+ 186.123693 151.6
[M+K]+ 207.053028 140.2
[M+H-H2O]+ 151.087130 126.9
[M+HCOO]- 213.088071 152.6
[M+CH3COO]- 227.103721 146.8
[M+Na-2H]- 189.064536 139.5
[M]+ 168.08932142 130.8
[M]- 168.09041858 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