CID 121553704

Methyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H16N2O2
SMILES
COC(=O)N1CC2CCC1C(C2)N
InChI
InChI=1S/C9H16N2O2/c1-13-9(12)11-5-6-2-3-8(11)7(10)4-6/h6-8H,2-5,10H2,1H3
InChIKey
ZNARIJZRRURANQ-UHFFFAOYSA-N
Compound name
methyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 140.3
[M+Na]+ 207.110408 144.6
[M-H]- 183.113914 135.3
[M+NH4]+ 202.155013 163.0
[M+K]+ 223.084348 143.5
[M+H-H2O]+ 167.118450 135.6
[M+HCOO]- 229.119391 151.1
[M+CH3COO]- 243.135041 188.6
[M+Na-2H]- 205.095856 149.5
[M]+ 184.12064142 140.3
[M]- 184.12173858 140.3
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

No patent data available for this compound.