CID 320281

2-(5-amino-1h-pyrazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=C(N(N=C1)CCO)N
InChI
InChI=1S/C5H9N3O/c6-5-1-2-7-8(5)3-4-9/h1-2,9H,3-4,6H2
InChIKey
IHQRJCVJAUKIEP-UHFFFAOYSA-N
Compound name
2-(5-aminopyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

127.07456 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 123.9
[M+Na]+ 150.063778 132.5
[M-H]- 126.067284 123.4
[M+NH4]+ 145.108383 144.1
[M+K]+ 166.037718 130.9
[M+H-H2O]+ 110.071820 117.2
[M+HCOO]- 172.072761 147.0
[M+CH3COO]- 186.088411 169.4
[M+Na-2H]- 148.049226 129.9
[M]+ 127.07401142 122.2
[M]- 127.07510858 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