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

99
Patents

189.05565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06293 137.4
[M+Na]+ 212.04487 142.7
[M-H]- 188.04837 132.7
[M+NH4]+ 207.08947 160.9
[M+K]+ 228.01881 140.4
[M+H-H2O]+ 172.05291 133.5
[M+HCOO]- 234.05385 143.8
[M+CH3COO]- 248.06950 148.0
[M+Na-2H]- 210.03032 147.8
[M]+ 189.05510 140.2
[M]- 189.05620 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