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 139.4
[M+Na]+ 210.06377 151.7
[M-H]- 186.06727 143.9
[M+NH4]+ 205.10837 157.8
[M+K]+ 226.03771 149.3
[M+H-H2O]+ 170.07181 125.7
[M+HCOO]- 232.07275 161.1
[M+CH3COO]- 246.08840 199.4
[M+Na-2H]- 208.04922 146.7
[M]+ 187.07400 138.6
[M]- 187.07510 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