CID 22015279

2-[methyl(propan-2-yl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)N(C)CC(=O)O
InChI
InChI=1S/C6H13NO2/c1-5(2)7(3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKey
RMLIHPQMHVOHNZ-UHFFFAOYSA-N
Compound name
2-[methyl(propan-2-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

131.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.6
[M+Na]+ 154.083858 134.6
[M-H]- 130.087364 129.1
[M+NH4]+ 149.128463 150.3
[M+K]+ 170.057798 136.0
[M+H-H2O]+ 114.091900 123.8
[M+HCOO]- 176.092841 151.1
[M+CH3COO]- 190.108491 177.6
[M+Na-2H]- 152.069306 132.1
[M]+ 131.09409142 129.3
[M]- 131.09518858 129.3
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