CID 21279853

84407-13-6

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=CN(N=C1N)CCO
InChI
InChI=1S/C5H9N3O/c6-5-1-2-8(7-5)3-4-9/h1-2,9H,3-4H2,(H2,6,7)
InChIKey
QGJIESRUALRBPX-UHFFFAOYSA-N
Compound name
2-(3-aminopyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
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

No literature data available for this compound.

Patent stripe

patents stripe