CID 12845046

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

Structural Information

Molecular Formula
C5H8N2O
SMILES
CN1C=CC(=N1)CO
InChI
InChI=1S/C5H8N2O/c1-7-3-2-5(4-8)6-7/h2-3,8H,4H2,1H3
InChIKey
WCKJRVKJTUIAFW-UHFFFAOYSA-N
Compound name
(1-methylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

502
Patents

112.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 120.6
[M+Na]+ 135.05288 132.2
[M+NH4]+ 130.09748 128.5
[M+K]+ 151.02682 128.8
[M-H]- 111.05638 120.4
[M+Na-2H]- 133.03833 126.2
[M]+ 112.06311 122.0
[M]- 112.06421 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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