CID 11615492

1033756-98-7

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)[C@@H]1CCCCCC[C@@H]1N
InChI
InChI=1S/C10H19NO2/c1-13-10(12)8-6-4-2-3-5-7-9(8)11/h8-9H,2-7,11H2,1H3/t8-,9+/m1/s1
InChIKey
FIFIYSYQCCIIQH-BDAKNGLRSA-N
Compound name
cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 148.7
[M+Na]+ 208.130808 152.4
[M-H]- 184.134314 150.1
[M+NH4]+ 203.175413 157.4
[M+K]+ 224.104748 153.1
[M+H-H2O]+ 168.138850 145.2
[M+HCOO]- 230.139791 157.5
[M+CH3COO]- 244.155441 222.5
[M+Na-2H]- 206.116256 147.9
[M]+ 185.14104142 146.4
[M]- 185.14213858 146.4
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