CID 15145031

5-hydroxy-1,3-dimethyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C6H7N3O
SMILES
CC1=C(C(=O)N(N1)C)C#N
InChI
InChI=1S/C6H7N3O/c1-4-5(3-7)6(10)9(2)8-4/h8H,1-2H3
InChIKey
FDQGIYDRKGLLJN-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

137.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 124.0
[M+Na]+ 160.04813 136.2
[M-H]- 136.05163 124.1
[M+NH4]+ 155.09273 142.5
[M+K]+ 176.02207 133.8
[M+H-H2O]+ 120.05617 111.1
[M+HCOO]- 182.05711 142.8
[M+CH3COO]- 196.07276 184.3
[M+Na-2H]- 158.03358 128.5
[M]+ 137.05836 119.2
[M]- 137.05946 119.2
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