CID 3019851

2-(dimethylamino)ethyl 4-azidobenzoate

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CN(C)CCOC(=O)C1=CC=C(C=C1)N=[N+]=[N-]
InChI
InChI=1S/C11H14N4O2/c1-15(2)7-8-17-11(16)9-3-5-10(6-4-9)13-14-12/h3-6H,7-8H2,1-2H3
InChIKey
PQKIJCOGSCWWMN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-azidobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

234.11168 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 151.3
[M+Na]+ 257.100898 156.4
[M-H]- 233.104404 158.7
[M+NH4]+ 252.145503 169.2
[M+K]+ 273.074838 152.1
[M+H-H2O]+ 217.108940 147.6
[M+HCOO]- 279.109881 182.9
[M+CH3COO]- 293.125531 200.1
[M+Na-2H]- 255.086346 159.5
[M]+ 234.11113142 152.0
[M]- 234.11222858 152.0
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