CID 42780

Dl-2-amino-6,6-dimethylheptanoic acid isopentyl ester hydrochloride

Structural Information

Molecular Formula
C14H29NO2
SMILES
CC(C)CCOC(=O)C(CCCC(C)(C)C)N
InChI
InChI=1S/C14H29NO2/c1-11(2)8-10-17-13(16)12(15)7-6-9-14(3,4)5/h11-12H,6-10,15H2,1-5H3
InChIKey
LOTOOIOKCANKKK-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-amino-6,6-dimethylheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.21983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 163.4
[M+Na]+ 266.20905 169.6
[M+NH4]+ 261.25365 168.8
[M+K]+ 282.18299 166.0
[M-H]- 242.21255 161.2
[M+Na-2H]- 264.19450 163.5
[M]+ 243.21928 163.3
[M]- 243.22038 163.3
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

No patent data available for this compound.