CID 440169

(2r,4s)-2,4-diaminopentanoic acid

Structural Information

Molecular Formula
C5H12N2O2
SMILES
C[C@@H](C[C@H](C(=O)O)N)N
InChI
InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)/t3-,4+/m0/s1
InChIKey
PCEJMSIIDXUDSN-IUYQGCFVSA-N
Compound name
(2R,4S)-2,4-diaminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

10
Patents

132.08987 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 129.9
[M+Na]+ 155.079088 134.9
[M-H]- 131.082594 127.9
[M+NH4]+ 150.123693 149.7
[M+K]+ 171.053028 135.0
[M+H-H2O]+ 115.087130 124.7
[M+HCOO]- 177.088071 150.8
[M+CH3COO]- 191.103721 175.9
[M+Na-2H]- 153.064536 131.1
[M]+ 132.08932142 125.3
[M]- 132.09041858 125.3
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