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]+ 138.06619 123.8
[M+Na]+ 160.04813 134.9
[M-H]- 136.05163 123.4
[M+NH4]+ 155.09273 142.0
[M+K]+ 176.02207 133.1
[M+H-H2O]+ 120.05617 110.4
[M+HCOO]- 182.05711 142.4
[M+CH3COO]- 196.07276 183.9
[M+Na-2H]- 158.03358 129.0
[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

No patent data available for this compound.