CID 131545365

5-(hydroxymethyl)-1-methyl-1h-pyrazole-3-carbonitrile

Structural Information

Molecular Formula
C6H7N3O
SMILES
CN1C(=CC(=N1)C#N)CO
InChI
InChI=1S/C6H7N3O/c1-9-6(4-10)2-5(3-7)8-9/h2,10H,4H2,1H3
InChIKey
YAWOWCVULLCTQI-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 123.8
[M+Na]+ 160.048128 134.9
[M-H]- 136.051634 123.4
[M+NH4]+ 155.092733 142.0
[M+K]+ 176.022068 133.1
[M+H-H2O]+ 120.056170 110.4
[M+HCOO]- 182.057111 142.4
[M+CH3COO]- 196.072761 183.9
[M+Na-2H]- 158.033576 129.0
[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

No patent data available for this compound.