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]+ 183.112806 139.2
[M+Na]+ 205.094748 146.3
[M-H]- 181.098254 142.3
[M+NH4]+ 200.139353 156.2
[M+K]+ 221.068688 145.2
[M+H-H2O]+ 165.102790 131.8
[M+HCOO]- 227.103731 157.0
[M+CH3COO]- 241.119381 177.0
[M+Na-2H]- 203.080196 143.0
[M]+ 182.10498142 136.4
[M]- 182.10607858 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.