CID 45836

Brn 0539576

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CN1CC2CCC(C1)N2CCOC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H23N3O2/c1-18-10-14-6-7-15(11-18)19(14)8-9-21-16(20)12-2-4-13(17)5-3-12/h2-5,14-15H,6-11,17H2,1H3
InChIKey
SYVNKOFCGRDUIF-UHFFFAOYSA-N
Compound name
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 169.6
[M+Na]+ 312.16824 174.6
[M-H]- 288.17174 171.7
[M+NH4]+ 307.21284 185.3
[M+K]+ 328.14218 170.9
[M+H-H2O]+ 272.17628 161.1
[M+HCOO]- 334.17722 185.3
[M+CH3COO]- 348.19287 204.7
[M+Na-2H]- 310.15369 170.3
[M]+ 289.17847 167.2
[M]- 289.17957 167.2
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

No patent data available for this compound.