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-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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 152.7
[M+Na]+ 253.13112 157.5
[M-H]- 229.13462 154.9
[M+NH4]+ 248.17572 171.2
[M+K]+ 269.10506 152.8
[M+H-H2O]+ 213.13916 145.8
[M+HCOO]- 275.14010 168.7
[M+CH3COO]- 289.15575 163.0
[M+Na-2H]- 251.11657 154.7
[M]+ 230.14135 145.5
[M]- 230.14245 145.5
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