CID 24973904

Methyl 4-amino-4-methylpentanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)(CCC(=O)OC)N
InChI
InChI=1S/C7H15NO2/c1-7(2,8)5-4-6(9)10-3/h4-5,8H2,1-3H3
InChIKey
ACAWIJLJSWFILZ-UHFFFAOYSA-N
Compound name
methyl 4-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

145.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.8
[M+Na]+ 168.09950 139.4
[M-H]- 144.10300 132.8
[M+NH4]+ 163.14410 154.0
[M+K]+ 184.07344 139.7
[M+H-H2O]+ 128.10754 128.4
[M+HCOO]- 190.10848 154.9
[M+CH3COO]- 204.12413 177.8
[M+Na-2H]- 166.08495 137.9
[M]+ 145.10973 133.6
[M]- 145.11083 133.6
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