CID 2802626

Cds1_000050

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CN1C2CCC1CC(=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C2
InChI
InChI=1S/C15H17N3O4/c1-17-13-6-7-14(17)9-11(8-13)16-22-15(19)10-2-4-12(5-3-10)18(20)21/h2-5,13-14H,6-9H2,1H3
InChIKey
VDENBPRDXQJZAX-UHFFFAOYSA-N
Compound name
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

303.12192 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 166.8
[M+Na]+ 326.111138 170.8
[M-H]- 302.114644 172.2
[M+NH4]+ 321.155743 182.8
[M+K]+ 342.085078 164.5
[M+H-H2O]+ 286.119180 163.4
[M+HCOO]- 348.120121 187.3
[M+CH3COO]- 362.135771 201.9
[M+Na-2H]- 324.096586 171.7
[M]+ 303.12137142 164.0
[M]- 303.12246858 164.0
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.