CID 11744909

945419-79-4

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCC[C@H](CC(=O)OCC)N
InChI
InChI=1S/C8H17NO2/c1-3-5-7(9)6-8(10)11-4-2/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKey
FJAZKEFQZOZJJO-SSDOTTSWSA-N
Compound name
ethyl (3R)-3-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 138.5
[M+Na]+ 182.115148 143.9
[M-H]- 158.118654 138.0
[M+NH4]+ 177.159753 158.9
[M+K]+ 198.089088 144.0
[M+H-H2O]+ 142.123190 133.2
[M+HCOO]- 204.124131 160.7
[M+CH3COO]- 218.139781 181.4
[M+Na-2H]- 180.100596 141.0
[M]+ 159.12538142 139.5
[M]- 159.12647858 139.5
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

patents stripe