CID 29984342

1155843-61-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

173.14159 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 143.5
[M+Na]+ 196.130808 147.7
[M-H]- 172.134314 142.0
[M+NH4]+ 191.175413 162.7
[M+K]+ 212.104748 147.5
[M+H-H2O]+ 156.138850 138.3
[M+HCOO]- 218.139791 163.5
[M+CH3COO]- 232.155441 184.1
[M+Na-2H]- 194.116256 144.7
[M]+ 173.14104142 143.3
[M]- 173.14213858 143.3
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

patents stripe