CID 45082336

2994292-87-2

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CN(C)CCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N2O2/c1-9(2)5-3-4-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey
UGQZFFGZKJEVIY-LURJTMIESA-N
Compound name
(2S)-2-amino-5-(dimethylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.12119 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.128466 138.1
[M+Na]+ 183.110408 142.7
[M-H]- 159.113914 137.8
[M+NH4]+ 178.155013 157.9
[M+K]+ 199.084348 143.6
[M+H-H2O]+ 143.118450 132.4
[M+HCOO]- 205.119391 160.6
[M+CH3COO]- 219.135041 185.0
[M+Na-2H]- 181.095856 140.0
[M]+ 160.12064142 137.3
[M]- 160.12173858 137.3
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

patents stripe