CID 155822092

2503156-00-9

Structural Information

Molecular Formula
C12H21NO2
SMILES
COC(=O)[C@H]1[C@H]2CCCCCC[C@H]2[C@@H]1N
InChI
InChI=1S/C12H21NO2/c1-15-12(14)10-8-6-4-2-3-5-7-9(8)11(10)13/h8-11H,2-7,13H2,1H3/t8-,9+,10-,11-/m0/s1
InChIKey
NUZOKSJUDQKBAT-VLEAKVRGSA-N
Compound name
methyl (1R,8S,9S,10S)-10-aminobicyclo[6.2.0]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 141.7
[M+Na]+ 234.146448 145.0
[M-H]- 210.149954 143.5
[M+NH4]+ 229.191053 147.8
[M+K]+ 250.120388 147.0
[M+H-H2O]+ 194.154490 136.3
[M+HCOO]- 256.155431 149.6
[M+CH3COO]- 270.171081 226.8
[M+Na-2H]- 232.131896 141.7
[M]+ 211.15668142 143.8
[M]- 211.15777858 143.8
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.