CID 219873

5346-61-2

Structural Information

Molecular Formula
C7H10N4O
SMILES
CC1=NN(C(=C1C#N)N)CCO
InChI
InChI=1S/C7H10N4O/c1-5-6(4-8)7(9)11(10-5)2-3-12/h12H,2-3,9H2,1H3
InChIKey
BLEZVCYUFBTTOD-UHFFFAOYSA-N
Compound name
5-amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.08546 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.092736 132.8
[M+Na]+ 189.074678 143.3
[M-H]- 165.078184 132.2
[M+NH4]+ 184.119283 149.6
[M+K]+ 205.048618 141.3
[M+H-H2O]+ 149.082720 119.2
[M+HCOO]- 211.083661 151.4
[M+CH3COO]- 225.099311 191.6
[M+Na-2H]- 187.060126 136.2
[M]+ 166.08491142 127.3
[M]- 166.08600858 127.3
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