CID 7010497

14000-28-3

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CN[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C7H16N2O2/c1-9-6(7(10)11)4-2-3-5-8/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey
OLYPWXRMOFUVGH-LURJTMIESA-N
Compound name
(2S)-6-amino-2-(methylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

189
References

7859
Patents

160.12119 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.128466 137.9
[M+Na]+ 183.110408 142.3
[M-H]- 159.113914 136.0
[M+NH4]+ 178.155013 156.9
[M+K]+ 199.084348 141.7
[M+H-H2O]+ 143.118450 132.3
[M+HCOO]- 205.119391 159.9
[M+CH3COO]- 219.135041 181.6
[M+Na-2H]- 181.095856 140.5
[M]+ 160.12064142 135.8
[M]- 160.12173858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe