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

7
Patents

187.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.081826 139.4
[M+Na]+ 210.063768 151.7
[M-H]- 186.067274 143.9
[M+NH4]+ 205.108373 157.8
[M+K]+ 226.037708 149.3
[M+H-H2O]+ 170.071810 125.7
[M+HCOO]- 232.072751 161.1
[M+CH3COO]- 246.088401 199.4
[M+Na-2H]- 208.049216 146.7
[M]+ 187.07400142 138.6
[M]- 187.07509858 138.6
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