CID 6453391

Ethyl (2s,3r)-2-amino-3-methylpentanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC[C@@H](C)[C@@H](C(=O)OCC)N
InChI
InChI=1S/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3/t6-,7+/m1/s1
InChIKey
ICPWNTVICOHCML-RQJHMYQMSA-N
Compound name
ethyl (2S,3R)-2-amino-3-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.8
[M+Na]+ 182.11515 144.1
[M-H]- 158.11865 138.5
[M+NH4]+ 177.15975 159.2
[M+K]+ 198.08909 144.6
[M+H-H2O]+ 142.12319 133.7
[M+HCOO]- 204.12413 160.1
[M+CH3COO]- 218.13978 182.3
[M+Na-2H]- 180.10060 140.1
[M]+ 159.12538 139.2
[M]- 159.12648 139.2
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.