CID 126836626

5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CN(C)C1=C(N=C(O1)CO)C#N
InChI
InChI=1S/C7H9N3O2/c1-10(2)7-5(3-8)9-6(4-11)12-7/h11H,4H2,1-2H3
InChIKey
ZHYYFZUZKRMNTF-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 131.6
[M+Na]+ 190.05869 141.7
[M-H]- 166.06219 134.2
[M+NH4]+ 185.10329 149.0
[M+K]+ 206.03263 142.1
[M+H-H2O]+ 150.06673 118.2
[M+HCOO]- 212.06767 151.8
[M+CH3COO]- 226.08332 193.5
[M+Na-2H]- 188.04414 136.8
[M]+ 167.06892 129.1
[M]- 167.07002 129.1
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.