CID 2761521

L-beta-homoisoleucine-hcl

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC[C@@H](C)[C@@H](CC(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-3-5(2)6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKey
JHEDYGILOIBOTL-PHDIDXHHSA-N
Compound name
(3R,4R)-3-amino-4-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

145.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 134.7
[M+Na]+ 168.09950 139.8
[M-H]- 144.10300 133.0
[M+NH4]+ 163.14410 154.8
[M+K]+ 184.07344 139.7
[M+H-H2O]+ 128.10754 129.9
[M+HCOO]- 190.10848 154.7
[M+CH3COO]- 204.12413 177.4
[M+Na-2H]- 166.08495 135.9
[M]+ 145.10973 132.8
[M]- 145.11083 132.8
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.