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

7
Patents

137.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 124.0
[M+Na]+ 160.048128 136.2
[M-H]- 136.051634 124.1
[M+NH4]+ 155.092733 142.5
[M+K]+ 176.022068 133.8
[M+H-H2O]+ 120.056170 111.1
[M+HCOO]- 182.057111 142.8
[M+CH3COO]- 196.072761 184.3
[M+Na-2H]- 158.033576 128.5
[M]+ 137.05836142 119.2
[M]- 137.05945858 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