CID 4186341

Methyl 2-amino-2-methylpropanoate

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC(C)(C(=O)OC)N
InChI
InChI=1S/C5H11NO2/c1-5(2,6)4(7)8-3/h6H2,1-3H3
InChIKey
HMZHEECHJWHZJX-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

154
References

2507
Patents

117.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 123.5
[M+Na]+ 140.068198 130.8
[M-H]- 116.071704 123.8
[M+NH4]+ 135.112803 145.7
[M+K]+ 156.042138 131.6
[M+H-H2O]+ 100.076240 119.5
[M+HCOO]- 162.077181 146.2
[M+CH3COO]- 176.092831 171.7
[M+Na-2H]- 138.053646 129.6
[M]+ 117.07843142 123.5
[M]- 117.07952858 123.5
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