CID 131440620

2-(methylamino)-1,3-oxazole-5-carbonitrile

Structural Information

Molecular Formula
C5H5N3O
SMILES
CNC1=NC=C(O1)C#N
InChI
InChI=1S/C5H5N3O/c1-7-5-8-3-4(2-6)9-5/h3H,1H3,(H,7,8)
InChIKey
WWTXZWMRUQBCQB-UHFFFAOYSA-N
Compound name
2-(methylamino)-1,3-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.050536 119.8
[M+Na]+ 146.032478 130.4
[M-H]- 122.035984 122.3
[M+NH4]+ 141.077083 138.7
[M+K]+ 162.006418 130.2
[M+H-H2O]+ 106.040520 106.6
[M+HCOO]- 168.041461 141.4
[M+CH3COO]- 182.057111 184.4
[M+Na-2H]- 144.017926 127.8
[M]+ 123.04271142 115.7
[M]- 123.04380858 115.7
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.