CID 15256896

1-azido-4-ethoxybenzene

Structural Information

Molecular Formula
C8H9N3O
SMILES
CCOC1=CC=C(C=C1)N=[N+]=[N-]
InChI
InChI=1S/C8H9N3O/c1-2-12-8-5-3-7(4-6-8)10-11-9/h3-6H,2H2,1H3
InChIKey
SGDQVLYEAQRXDR-UHFFFAOYSA-N
Compound name
1-azido-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

163.07455 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 130.8
[M+Na]+ 186.063768 138.1
[M-H]- 162.067274 137.4
[M+NH4]+ 181.108373 151.7
[M+K]+ 202.037708 132.9
[M+H-H2O]+ 146.071810 128.7
[M+HCOO]- 208.072751 162.7
[M+CH3COO]- 222.088401 181.6
[M+Na-2H]- 184.049216 142.2
[M]+ 163.07400142 130.2
[M]- 163.07509858 130.2
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

patents stripe