CID 135014341

2913229-45-3

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)C[C@@H](CC(=O)OC)NC
InChI
InChI=1S/C9H19NO2/c1-7(2)5-8(10-3)6-9(11)12-4/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1
InChIKey
RXRBXNAZPDBXNV-QMMMGPOBSA-N
Compound name
methyl (3S)-5-methyl-3-(methylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 143.0
[M+Na]+ 196.130808 147.8
[M-H]- 172.134314 142.9
[M+NH4]+ 191.175413 163.0
[M+K]+ 212.104748 148.5
[M+H-H2O]+ 156.138850 137.6
[M+HCOO]- 218.139791 164.5
[M+CH3COO]- 232.155441 186.0
[M+Na-2H]- 194.116256 144.8
[M]+ 173.14104142 144.7
[M]- 173.14213858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.