CID 155820807

2460755-57-9

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC1(CC2CCC1CC2N)C(=O)OC
InChI
InChI=1S/C11H19NO2/c1-11(10(13)14-2)6-7-3-4-8(11)5-9(7)12/h7-9H,3-6,12H2,1-2H3
InChIKey
HFVRYTBDQAQHEX-UHFFFAOYSA-N
Compound name
methyl 5-amino-2-methylbicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.6
[M+Na]+ 220.13081 151.0
[M-H]- 196.13431 142.8
[M+NH4]+ 215.17541 172.0
[M+K]+ 236.10475 149.3
[M+H-H2O]+ 180.13885 142.6
[M+HCOO]- 242.13979 157.6
[M+CH3COO]- 256.15544 192.0
[M+Na-2H]- 218.11626 155.4
[M]+ 197.14104 146.9
[M]- 197.14214 146.9
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.