CID 15475335

32385-74-3

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1=C(NN=C1)CCO
InChI
InChI=1S/C5H8N2O/c8-4-2-5-1-3-6-7-5/h1,3,8H,2,4H2,(H,6,7)
InChIKey
BWDXTPHVKBEOKV-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

385
Patents

112.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 120.9
[M+Na]+ 135.05288 129.1
[M-H]- 111.05638 119.2
[M+NH4]+ 130.09748 141.3
[M+K]+ 151.02682 127.1
[M+H-H2O]+ 95.060920 114.6
[M+HCOO]- 157.06186 142.1
[M+CH3COO]- 171.07751 161.5
[M+Na-2H]- 133.03833 127.8
[M]+ 112.06311 118.7
[M]- 112.06421 118.7
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