CID 2113

2,5-diamino-2-methylpentanoic acid

Structural Information

Molecular Formula
C6H14N2O2
SMILES
CC(CCCN)(C(=O)O)N
InChI
InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
InChIKey
LNDPCYHWPSQBCA-UHFFFAOYSA-N
Compound name
2,5-diamino-2-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

608
Patents

146.10553 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11281 131.7
[M+Na]+ 169.09475 138.0
[M+NH4]+ 164.13935 137.6
[M+K]+ 185.06869 135.7
[M-H]- 145.09825 129.7
[M+Na-2H]- 167.08020 133.1
[M]+ 146.10498 131.5
[M]- 146.10608 131.5
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