CID 375216

Nsc654613

Structural Information

Molecular Formula
C11H9N3O2
SMILES
CCC1=C(C2=CC=CC=C2OC1=O)N=[N+]=[N-]
InChI
InChI=1S/C11H9N3O2/c1-2-7-10(13-14-12)8-5-3-4-6-9(8)16-11(7)15/h3-6H,2H2,1H3
InChIKey
GZMOATUAOVPJLS-UHFFFAOYSA-N
Compound name
4-azido-3-ethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 142.5
[M+Na]+ 238.05869 151.8
[M-H]- 214.06219 151.1
[M+NH4]+ 233.10329 161.3
[M+K]+ 254.03263 145.8
[M+H-H2O]+ 198.06673 139.8
[M+HCOO]- 260.06767 172.6
[M+CH3COO]- 274.08332 191.6
[M+Na-2H]- 236.04414 155.2
[M]+ 215.06892 143.8
[M]- 215.07002 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.