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]+ 290.186296 169.6
[M+Na]+ 312.168238 174.6
[M-H]- 288.171744 171.7
[M+NH4]+ 307.212843 185.3
[M+K]+ 328.142178 170.9
[M+H-H2O]+ 272.176280 161.1
[M+HCOO]- 334.177221 185.3
[M+CH3COO]- 348.192871 204.7
[M+Na-2H]- 310.153686 170.3
[M]+ 289.17847142 167.2
[M]- 289.17956858 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.