CID 69218842

2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile

Structural Information

Molecular Formula
C10H9N3O
SMILES
CN(C)C1=NC2=C(O1)C=CC(=C2)C#N
InChI
InChI=1S/C10H9N3O/c1-13(2)10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,1-2H3
InChIKey
VHWXSIMZUPEVKQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 141.5
[M+Na]+ 210.06377 154.5
[M+NH4]+ 205.10837 146.8
[M+K]+ 226.03771 147.0
[M-H]- 186.06727 137.9
[M+Na-2H]- 208.04922 145.4
[M]+ 187.07400 141.6
[M]- 187.07510 141.6
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