CID 83390687

2-[1-(propan-2-yl)-1h-pyrazol-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)N1C(=CC=N1)CCO
InChI
InChI=1S/C8H14N2O/c1-7(2)10-8(4-6-11)3-5-9-10/h3,5,7,11H,4,6H2,1-2H3
InChIKey
TZAGEYUFEAHVOE-UHFFFAOYSA-N
Compound name
2-(2-propan-2-ylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.1
[M+Na]+ 177.099828 142.1
[M-H]- 153.103334 133.8
[M+NH4]+ 172.144433 153.9
[M+K]+ 193.073768 140.7
[M+H-H2O]+ 137.107870 127.4
[M+HCOO]- 199.108811 154.9
[M+CH3COO]- 213.124461 175.1
[M+Na-2H]- 175.085276 138.0
[M]+ 154.11006142 134.7
[M]- 154.11115858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.