CID 11961423

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

112.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 119.8
[M+Na]+ 135.052878 129.4
[M-H]- 111.056384 119.9
[M+NH4]+ 130.097483 141.3
[M+K]+ 151.026818 128.3
[M+H-H2O]+ 95.060920 113.7
[M+HCOO]- 157.061861 142.6
[M+CH3COO]- 171.077511 165.2
[M+Na-2H]- 133.038326 126.6
[M]+ 112.06311142 119.9
[M]- 112.06420858 119.9
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