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

55
Patents

204.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 143.9
[M+Na]+ 227.11549 150.2
[M-H]- 203.11899 148.4
[M+NH4]+ 222.16009 163.1
[M+K]+ 243.08943 147.8
[M+H-H2O]+ 187.12353 136.9
[M+HCOO]- 249.12447 162.1
[M+CH3COO]- 263.14012 156.0
[M+Na-2H]- 225.10094 149.2
[M]+ 204.12572 139.8
[M]- 204.12682 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