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]+ 200.16451 149.2
[M+Na]+ 222.14645 151.5
[M-H]- 198.14995 150.8
[M+NH4]+ 217.19105 167.3
[M+K]+ 238.12039 150.8
[M+H-H2O]+ 182.15449 142.8
[M+HCOO]- 244.15543 167.7
[M+CH3COO]- 258.17108 186.9
[M+Na-2H]- 220.13190 149.9
[M]+ 199.15668 144.5
[M]- 199.15778 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.