CID 4182527

1h-pyrazole-3,5-dimethanol

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1=C(NN=C1CO)CO
InChI
InChI=1S/C5H8N2O2/c8-2-4-1-5(3-9)7-6-4/h1,8-9H,2-3H2,(H,6,7)
InChIKey
CEMYSBRDJZPNNC-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-1H-pyrazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

128.05858 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 124.5
[M+Na]+ 151.04780 133.0
[M-H]- 127.05130 121.7
[M+NH4]+ 146.09240 143.7
[M+K]+ 167.02174 130.5
[M+H-H2O]+ 111.05584 118.5
[M+HCOO]- 173.05678 144.3
[M+CH3COO]- 187.07243 162.1
[M+Na-2H]- 149.03325 130.1
[M]+ 128.05803 122.2
[M]- 128.05913 122.2
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