CID 17982942

1-(1h-pyrazol-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(C1=CC=NN1)O
InChI
InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)
InChIKey
CABHXTNYNGUYFF-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

112.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 121.6
[M+Na]+ 135.052878 129.5
[M-H]- 111.056384 120.0
[M+NH4]+ 130.097483 141.9
[M+K]+ 151.026818 127.9
[M+H-H2O]+ 95.060920 115.3
[M+HCOO]- 157.061861 141.8
[M+CH3COO]- 171.077511 162.3
[M+Na-2H]- 133.038326 127.2
[M]+ 112.06311142 118.7
[M]- 112.06420858 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