CID 115449

Brn 0539471

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CN1C2CCC1CN(C2)CCOC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H23N3O2/c1-18-14-6-7-15(18)11-19(10-14)8-9-21-16(20)12-2-4-13(17)5-3-12/h2-5,14-15H,6-11,17H2,1H3
InChIKey
ZAEBUEMQCGDBRC-UHFFFAOYSA-N
Compound name
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-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 169.3
[M+Na]+ 312.16824 178.8
[M+NH4]+ 307.21284 176.5
[M+K]+ 328.14218 174.6
[M-H]- 288.17174 170.9
[M+Na-2H]- 310.15369 171.6
[M]+ 289.17847 170.7
[M]- 289.17957 170.7
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.