CID 1810164

Methyl 6-aminohexanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
COC(=O)CCCCCN
InChI
InChI=1S/C7H15NO2/c1-10-7(9)5-3-2-4-6-8/h2-6,8H2,1H3
InChIKey
TZJVWRXHKAXSEA-UHFFFAOYSA-N
Compound name
methyl 6-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1921
Patents

145.11028 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.2
[M+Na]+ 168.09950 139.3
[M-H]- 144.10300 132.8
[M+NH4]+ 163.14410 154.2
[M+K]+ 184.07344 139.2
[M+H-H2O]+ 128.10754 128.1
[M+HCOO]- 190.10848 156.8
[M+CH3COO]- 204.12413 177.5
[M+Na-2H]- 166.08495 137.6
[M]+ 145.10973 134.5
[M]- 145.11083 134.5
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

patents stripe