CID 51055215

(3r)-3-methyl-d-ornithine(1+)

Structural Information

Molecular Formula
C6H14N2O2
SMILES
C[C@H](CCN)[C@H](C(=O)O)N
InChI
InChI=1S/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1
InChIKey
HYUPFEBCCJWDJX-RFZPGFLSSA-N
Compound name
(2R,3R)-2,5-diamino-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

108
Patents

146.10553 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11281 134.5
[M+Na]+ 169.09475 139.0
[M-H]- 145.09825 132.3
[M+NH4]+ 164.13935 153.7
[M+K]+ 185.06869 138.9
[M+H-H2O]+ 129.10279 129.1
[M+HCOO]- 191.10373 155.1
[M+CH3COO]- 205.11938 178.9
[M+Na-2H]- 167.08020 135.2
[M]+ 146.10498 130.2
[M]- 146.10608 130.2
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