CID 42609130

5-amino-1-(tetrahydro-pyran-4-yl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C9H12N4O
SMILES
C1COCCC1N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C9H12N4O/c10-5-7-6-12-13(9(7)11)8-1-3-14-4-2-8/h6,8H,1-4,11H2
InChIKey
UMPNYNSSLRKJHT-UHFFFAOYSA-N
Compound name
5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

192.1011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 138.4
[M+Na]+ 215.09032 146.8
[M-H]- 191.09382 140.6
[M+NH4]+ 210.13492 152.8
[M+K]+ 231.06426 144.3
[M+H-H2O]+ 175.09836 123.2
[M+HCOO]- 237.09930 154.3
[M+CH3COO]- 251.11495 148.9
[M+Na-2H]- 213.07577 142.0
[M]+ 192.10055 129.3
[M]- 192.10165 129.3
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