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

174
Patents

127.07456 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 123.9
[M+Na]+ 150.06378 132.5
[M-H]- 126.06728 123.4
[M+NH4]+ 145.10838 144.1
[M+K]+ 166.03772 130.9
[M+H-H2O]+ 110.07182 117.2
[M+HCOO]- 172.07276 147.0
[M+CH3COO]- 186.08841 169.4
[M+Na-2H]- 148.04923 129.9
[M]+ 127.07401 122.2
[M]- 127.07511 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