CID 53769160

4-azatricyclo[5.2.2.0,2,6]undecane hydrochloride

Structural Information

Molecular Formula
C10H17N
SMILES
C1CC2CCC1C3C2CNC3
InChI
InChI=1S/C10H17N/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h7-11H,1-6H2
InChIKey
WRVOPOWJCLQYKA-UHFFFAOYSA-N
Compound name
4-azatricyclo[5.2.2.02,6]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

151.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 130.8
[M+Na]+ 174.125318 134.1
[M-H]- 150.128824 127.1
[M+NH4]+ 169.169923 156.2
[M+K]+ 190.099258 130.6
[M+H-H2O]+ 134.133360 125.5
[M+HCOO]- 196.134301 140.2
[M+CH3COO]- 210.149951 141.1
[M+Na-2H]- 172.110766 138.8
[M]+ 151.13555142 126.4
[M]- 151.13664858 126.4
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