CID 11622348

(3-methoxy-1-methyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CN1C=C(C(=N1)OC)CO
InChI
InChI=1S/C6H10N2O2/c1-8-3-5(4-9)6(7-8)10-2/h3,9H,4H2,1-2H3
InChIKey
INMQDURGNQFXFO-UHFFFAOYSA-N
Compound name
(3-methoxy-1-methylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

142.07423 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 127.0
[M+Na]+ 165.06345 137.0
[M-H]- 141.06695 127.3
[M+NH4]+ 160.10805 147.6
[M+K]+ 181.03739 136.0
[M+H-H2O]+ 125.07149 120.8
[M+HCOO]- 187.07243 149.6
[M+CH3COO]- 201.08808 171.4
[M+Na-2H]- 163.04890 132.5
[M]+ 142.07368 129.3
[M]- 142.07478 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe