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 165.4
[M+Na]+ 266.20905 168.7
[M-H]- 242.21255 164.3
[M+NH4]+ 261.25365 182.6
[M+K]+ 282.18299 168.2
[M+H-H2O]+ 226.21709 159.9
[M+HCOO]- 288.21803 183.2
[M+CH3COO]- 302.23368 200.0
[M+Na-2H]- 264.19450 164.4
[M]+ 243.21928 167.5
[M]- 243.22038 167.5
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

No patent data available for this compound.