CID 64107266

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

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CN1C=C(C=N1)C2CC(CCO2)O
InChI
InChI=1S/C9H14N2O2/c1-11-6-7(5-10-11)9-4-8(12)2-3-13-9/h5-6,8-9,12H,2-4H2,1H3
InChIKey
LRJLNMXBDVGZGP-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 139.2
[M+Na]+ 205.09475 146.3
[M-H]- 181.09825 142.3
[M+NH4]+ 200.13935 156.2
[M+K]+ 221.06869 145.2
[M+H-H2O]+ 165.10279 131.8
[M+HCOO]- 227.10373 157.0
[M+CH3COO]- 241.11938 177.0
[M+Na-2H]- 203.08020 143.0
[M]+ 182.10498 136.4
[M]- 182.10608 136.4
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

No patent data available for this compound.