CID 21727858

3-amino-2-(methylamino)propanoic acid

Structural Information

Molecular Formula
C4H10N2O2
SMILES
CNC(CN)C(=O)O
InChI
InChI=1S/C4H10N2O2/c1-6-3(2-5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)
InChIKey
LYESEIVAYITDEH-UHFFFAOYSA-N
Compound name
3-amino-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1350
Patents

118.07423 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.081506 124.3
[M+Na]+ 141.063448 129.9
[M-H]- 117.066954 122.9
[M+NH4]+ 136.108053 145.0
[M+K]+ 157.037388 130.1
[M+H-H2O]+ 101.071490 119.2
[M+HCOO]- 163.072431 147.2
[M+CH3COO]- 177.088081 172.4
[M+Na-2H]- 139.048896 128.5
[M]+ 118.07368142 121.0
[M]- 118.07477858 121.0
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