CID 137951695

Methyl (3r,4s)-3-amino-4-methylhexanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC[C@H](C)[C@@H](CC(=O)OC)N
InChI
InChI=1S/C8H17NO2/c1-4-6(2)7(9)5-8(10)11-3/h6-7H,4-5,9H2,1-3H3/t6-,7+/m0/s1
InChIKey
KSOJIFJZDIQTQN-NKWVEPMBSA-N
Compound name
methyl (3R,4S)-3-amino-4-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.5
[M+Na]+ 182.11515 145.2
[M+NH4]+ 177.15975 144.1
[M+K]+ 198.08909 141.8
[M-H]- 158.11865 136.2
[M+Na-2H]- 180.10060 139.2
[M]+ 159.12538 137.8
[M]- 159.12648 137.8
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.