CID 63960719

4-(1-methyl-1h-pyrazol-5-yl)oxan-4-ol

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CN1C(=CC=N1)C2(CCOCC2)O
InChI
InChI=1S/C9H14N2O2/c1-11-8(2-5-10-11)9(12)3-6-13-7-4-9/h2,5,12H,3-4,6-7H2,1H3
InChIKey
RRFZNMWQMSNCNE-UHFFFAOYSA-N
Compound name
4-(2-methylpyrazol-3-yl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 138.2
[M+Na]+ 205.09475 145.3
[M-H]- 181.09825 141.3
[M+NH4]+ 200.13935 157.0
[M+K]+ 221.06869 144.6
[M+H-H2O]+ 165.10279 131.2
[M+HCOO]- 227.10373 156.2
[M+CH3COO]- 241.11938 175.4
[M+Na-2H]- 203.08020 144.0
[M]+ 182.10498 135.4
[M]- 182.10608 135.4
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.