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

63
Patents

192.1011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.108376 138.4
[M+Na]+ 215.090318 146.8
[M-H]- 191.093824 140.6
[M+NH4]+ 210.134923 152.8
[M+K]+ 231.064258 144.3
[M+H-H2O]+ 175.098360 123.2
[M+HCOO]- 237.099301 154.3
[M+CH3COO]- 251.114951 148.9
[M+Na-2H]- 213.075766 142.0
[M]+ 192.10055142 129.3
[M]- 192.10164858 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