CID 219852

5346-53-2

Structural Information

Molecular Formula
C6H8N4O
SMILES
C1=NN(C(=C1C#N)N)CCO
InChI
InChI=1S/C6H8N4O/c7-3-5-4-9-10(1-2-11)6(5)8/h4,11H,1-2,8H2
InChIKey
FOZZJAVSCUBGPM-UHFFFAOYSA-N
Compound name
5-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

152.06981 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07709 128.8
[M+Na]+ 175.05903 138.8
[M-H]- 151.06253 127.9
[M+NH4]+ 170.10363 145.8
[M+K]+ 191.03297 136.9
[M+H-H2O]+ 135.06707 114.9
[M+HCOO]- 197.06801 147.6
[M+CH3COO]- 211.08366 187.8
[M+Na-2H]- 173.04448 133.3
[M]+ 152.06926 122.5
[M]- 152.07036 122.5
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