CID 11480875

Methyl 3-amino-3-cyclohexylpropanoate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)C[C@H](C1CCCCC1)N
InChI
InChI=1S/C10H19NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3/t9-/m1/s1
InChIKey
QPIJOUZKOGIOFE-SECBINFHSA-N
Compound name
methyl (3R)-3-amino-3-cyclohexylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

185.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 144.6
[M+Na]+ 208.130808 147.4
[M-H]- 184.134314 146.4
[M+NH4]+ 203.175413 163.3
[M+K]+ 224.104748 146.9
[M+H-H2O]+ 168.138850 138.4
[M+HCOO]- 230.139791 163.5
[M+CH3COO]- 244.155441 183.9
[M+Na-2H]- 206.116256 145.9
[M]+ 185.14104142 139.6
[M]- 185.14213858 139.6
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.