CID 97328

L-2,3-diaminopropionic acid

Structural Information

Molecular Formula
C3H8N2O2
SMILES
C([C@@H](C(=O)O)N)N
InChI
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
InChIKey
PECYZEOJVXMISF-REOHCLBHSA-N
Compound name
(2S)-2,3-diaminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

135
References

13139
Patents

104.05858 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06586 119.3
[M+Na]+ 127.04780 126.1
[M+NH4]+ 122.09240 125.7
[M+K]+ 143.02174 124.0
[M-H]- 103.05130 117.8
[M+Na-2H]- 125.03325 121.1
[M]+ 104.05803 119.2
[M]- 104.05913 119.2
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