CID 19962946

2955561-37-0

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1=C(C=NN1)O
InChI
InChI=1S/C4H6N2O/c1-3-4(7)2-5-6-3/h2,7H,1H3,(H,5,6)
InChIKey
RGQMPSRGRDKMCX-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

98.04801 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 116.2
[M+Na]+ 121.03723 125.8
[M-H]- 97.040734 115.1
[M+NH4]+ 116.08183 137.6
[M+K]+ 137.01117 124.0
[M+H-H2O]+ 81.045270 110.5
[M+HCOO]- 143.04621 137.8
[M+CH3COO]- 157.06186 159.5
[M+Na-2H]- 119.02268 122.9
[M]+ 98.047461 114.1
[M]- 98.048559 114.1
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