CID 20812191

385367-77-1

Structural Information

Molecular Formula
C8H12ClNO2
SMILES
C1CN2CCC1[C@H](C2)OC(=O)Cl
InChI
InChI=1S/C8H12ClNO2/c9-8(11)12-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2/t7-/m0/s1
InChIKey
WGNZRZSJIVMRBU-ZETCQYMHSA-N
Compound name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

189.05565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.062926 137.4
[M+Na]+ 212.044868 142.7
[M-H]- 188.048374 132.7
[M+NH4]+ 207.089473 160.9
[M+K]+ 228.018808 140.4
[M+H-H2O]+ 172.052910 133.5
[M+HCOO]- 234.053851 143.8
[M+CH3COO]- 248.069501 148.0
[M+Na-2H]- 210.030316 147.8
[M]+ 189.05510142 140.2
[M]- 189.05619858 140.2
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