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]+ 231.149176 152.7
[M+Na]+ 253.131118 157.5
[M-H]- 229.134624 154.9
[M+NH4]+ 248.175723 171.2
[M+K]+ 269.105058 152.8
[M+H-H2O]+ 213.139160 145.8
[M+HCOO]- 275.140101 168.7
[M+CH3COO]- 289.155751 163.0
[M+Na-2H]- 251.116566 154.7
[M]+ 230.14135142 145.5
[M]- 230.14244858 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