CID 110514

5-carbamoyl-2-methoxybenzenediazonium

Structural Information

Molecular Formula
C8H8N3O2
SMILES
COC1=C(C=C(C=C1)C(=O)N)[N+]#N
InChI
InChI=1S/C8H7N3O2/c1-13-7-3-2-5(8(9)12)4-6(7)11-10/h2-4H,1H3,(H-,9,12)/p+1
InChIKey
YCZWPGJJYNAACC-UHFFFAOYSA-O
Compound name
5-carbamoyl-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.06165 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06893 139.4
[M+Na]+ 201.05087 149.2
[M-H]- 177.05437 144.0
[M+NH4]+ 196.09547 157.0
[M+K]+ 217.02481 143.2
[M+H-H2O]+ 161.05891 129.0
[M+HCOO]- 223.05985 162.2
[M+CH3COO]- 237.07550 192.9
[M+Na-2H]- 199.03632 146.5
[M]+ 178.06110 133.9
[M]- 178.06220 133.9
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