CID 45087526

2803755-62-4

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CN(C)[C@@H](CN)C(=O)O
InChI
InChI=1S/C5H12N2O2/c1-7(2)4(3-6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey
ZZVMKUHKJQQEES-BYPYZUCNSA-N
Compound name
(2S)-3-amino-2-(dimethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

132.08987 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 128.9
[M+Na]+ 155.079088 134.3
[M-H]- 131.082594 128.9
[M+NH4]+ 150.123693 149.7
[M+K]+ 171.053028 135.6
[M+H-H2O]+ 115.087130 123.5
[M+HCOO]- 177.088071 152.0
[M+CH3COO]- 191.103721 178.9
[M+Na-2H]- 153.064536 131.8
[M]+ 132.08932142 127.2
[M]- 132.09041858 127.2
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