CID 66392864

4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}aniline

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CC2CN(CC1O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C12H16N2O/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-14)15-11/h1-4,11-12H,5-8,13H2
InChIKey
WSQUKDPLTHJLPN-UHFFFAOYSA-N
Compound name
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

204.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 143.9
[M+Na]+ 227.115488 150.2
[M-H]- 203.118994 148.4
[M+NH4]+ 222.160093 163.1
[M+K]+ 243.089428 147.8
[M+H-H2O]+ 187.123530 136.9
[M+HCOO]- 249.124471 162.1
[M+CH3COO]- 263.140121 156.0
[M+Na-2H]- 225.100936 149.2
[M]+ 204.12572142 139.8
[M]- 204.12681858 139.8
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