CID 25138386

949904-53-4

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1C[C@H]2CC(C[C@@H]1N2)C3=CC(=CC=C3)C(=O)N
InChI
InChI=1S/C14H18N2O/c15-14(17)10-3-1-2-9(6-10)11-7-12-4-5-13(8-11)16-12/h1-3,6,11-13,16H,4-5,7-8H2,(H2,15,17)/t11?,12-,13+
InChIKey
GTWJGCZNNITLEN-YHWZYXNKSA-N
Compound name
3-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

230.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.2
[M+Na]+ 253.13112 162.9
[M+NH4]+ 248.17572 161.9
[M+K]+ 269.10506 158.5
[M-H]- 229.13462 155.7
[M+Na-2H]- 251.11657 156.6
[M]+ 230.14135 154.9
[M]- 230.14245 154.9
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