CID 62686655

2-[(2-aminoethyl)(methyl)amino]acetic acid dihydrochloride

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CN(CCN)CC(=O)O
InChI
InChI=1S/C5H12N2O2/c1-7(3-2-6)4-5(8)9/h2-4,6H2,1H3,(H,8,9)
InChIKey
IUJAXCQYNMCGOD-UHFFFAOYSA-N
Compound name
2-[2-aminoethyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

132.08987 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 128.3
[M+Na]+ 155.079088 133.9
[M-H]- 131.082594 128.1
[M+NH4]+ 150.123693 149.1
[M+K]+ 171.053028 134.7
[M+H-H2O]+ 115.087130 122.8
[M+HCOO]- 177.088071 152.4
[M+CH3COO]- 191.103721 178.0
[M+Na-2H]- 153.064536 132.5
[M]+ 132.08932142 127.3
[M]- 132.09041858 127.3
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