CID 150785903

2470280-14-7

Structural Information

Molecular Formula
C11H21NO2
SMILES
COC(=O)[C@@H](CCC1CCCCC1)N
InChI
InChI=1S/C11H21NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1
InChIKey
KCVPRRNRTQVESK-SNVBAGLBSA-N
Compound name
methyl (2R)-2-amino-4-cyclohexylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 149.2
[M+Na]+ 222.146448 151.5
[M-H]- 198.149954 150.8
[M+NH4]+ 217.191053 167.3
[M+K]+ 238.120388 150.8
[M+H-H2O]+ 182.154490 142.8
[M+HCOO]- 244.155431 167.7
[M+CH3COO]- 258.171081 186.9
[M+Na-2H]- 220.131896 149.9
[M]+ 199.15668142 144.5
[M]- 199.15777858 144.5
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.