CID 71711114

Methyl 3-amino-4-methoxy-3-methylbutanoate

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(CC(=O)OC)(COC)N
InChI
InChI=1S/C7H15NO3/c1-7(8,5-10-2)4-6(9)11-3/h4-5,8H2,1-3H3
InChIKey
KNTILKYWBGWRCJ-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-methoxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

161.1052 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 135.6
[M+Na]+ 184.09442 142.1
[M-H]- 160.09792 135.5
[M+NH4]+ 179.13902 156.0
[M+K]+ 200.06836 142.8
[M+H-H2O]+ 144.10246 130.9
[M+HCOO]- 206.10340 157.9
[M+CH3COO]- 220.11905 179.8
[M+Na-2H]- 182.07987 140.8
[M]+ 161.10465 137.9
[M]- 161.10575 137.9
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